Geometry & MOs

Info

ID:

224472

PubChem CID:

85343625

Reduced:

OPPdC33H41 (1)

Stoich.:

ABCD33E41 (1)

Weight, g/mol:

608.444484

ΔHf, kcal/mol:

3.67

Dipole, Da:

5.42

IP(EA), eV:

 -7.36(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[tert-butyl(dimethyl)silyl]oxy-1-[[dimethyl(phenyl)silyl]methyl]-4b,7,7,10a,12a-pentamethyl-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)P(C(C)(C)C)C(C)(C)C)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd]

DOS

IR

Vibrations