Geometry & MOs

Info

ID:	21539
PubChem CID:	588874
Reduced:	Si3O4C31H56 (1)
Stoich.:	A3B4C31D56 (1)
Weight, g/mol:	576.34864
ΔH_f, kcal/mol:	-363.81
Dipole, Da:	2.94
IP(EA), eV:	-8.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6,10,13-trimethyl-3,17-bis(trimethylsilyloxy)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanone

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

CC1=C2C=C(CCC2(C3CCC4(C(C3C1)CCC4(C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)C)C)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

CC1=C2C=C(CCC2(C3CCC4(C(C3C1)CCC4(C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)C)C)O[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):