Geometry & MOs

Info

ID:	21707
PubChem CID:	589598
Reduced:	Si3O9C39H68 (1)
Stoich.:	A3B9C39D68 (1)
Weight, g/mol:	764.417113
ΔH_f, kcal/mol:	-575.57
Dipole, Da:	5.61
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-6-methyl-3,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-14-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

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

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O[Si](C)(C)C)C)C=O)O[Si](C)(C)C)OC)O[Si](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

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O[Si](C)(C)C)C)C=O)O[Si](C)(C)C)OC)O[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):