Geometry & MOs

Info

ID:	20333
PubChem CID:	583175
Reduced:	Si2O8C41H72 (1)
Stoich.:	A2B8C41D72 (1)
Weight, g/mol:	748.476572
ΔH_f, kcal/mol:	-561.26
Dipole, Da:	3.6
IP(EA), eV:	-9.36(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[12-acetyloxy-4,4,8,10,14-pentamethyl-17-[2-methyl-5-(2-trimethylsilyloxypropan-2-yl)oxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-O-trimethylsilyl propanedioate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1CC2C3(CCC(C(C3CCC2(C4(C1C(CC4)C5(CCC(O5)C(C)(C)O[Si](C)(C)C)C)C)C)(C)C)OC(=O)CC(=O)O[Si](C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1CC2C3(CCC(C(C3CCC2(C4(C1C(CC4)C5(CCC(O5)C(C)(C)O[Si](C)(C)C)C)C)C)(C)C)OC(=O)CC(=O)O[Si](C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):