Geometry & MOs

Info

ID:	53975
PubChem CID:	14718480
Reduced:	SiO3C27H44 (1)
Stoich.:	AB3C27D44 (1)
Weight, g/mol:	444.305972
ΔH_f, kcal/mol:	-228.34
Dipole, Da:	7.84
IP(EA), eV:	-9.13(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-17-acetyl-17-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

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)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O[Si](C)(C)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)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):