Geometry & MOs

Info

ID:

219247

PubChem CID:

85096695

Reduced:

NO2C14H22 (2)

Stoich.:

AB2C14D22 (2)

Weight, g/mol:

472.35526

ΔHf, kcal/mol:

-247.02

Dipole, Da:

7.91

IP(EA), eV:

 -9.14(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-1-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CN(C4=CC(=O)CCC34C)C(=O)OC(C)(C)C

DOS

IR

Vibrations