Geometry & MOs

Info

ID:

43884

PubChem CID:

10321928

Reduced:

ON2C14H17 (2)

Stoich.:

AB2C14D17 (2)

Weight, g/mol:

458.212695

ΔHf, kcal/mol:

-46.62

Dipole, Da:

9.95

IP(EA), eV:

 -8.4(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2CCN(CC2)C(=O)CC3=C(N4CCCC5=C4C3=CC(=C5)C(=O)C(C)C)C

DOS

IR

Vibrations