Geometry & MOs

Info

ID:

329587

PubChem CID:

126738671

Reduced:

SN5O6C31H37 (1)

Stoich.:

AB5C6D31E37 (1)

Weight, g/mol:

514.381081

ΔHf, kcal/mol:

-151.16

Dipole, Da:

8.78

IP(EA), eV:

 -8.74(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[(2R)-5-hydroxy-5,5-diphenylpentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol

Drug info:

PubChemData

Smile

CCC(=O)NC(CC/C=C/SC(=NC(=O)CC1=CC(=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)N)CCNC=O

DOS

IR

Vibrations