Geometry & MOs

Info

ID:

296867

PubChem CID:

117598018

Reduced:

Cl2N2O9H40C41 (1)

Stoich.:

A2B2C9D40E41 (1)

Weight, g/mol:

638.481129

ΔHf, kcal/mol:

-294.75

Dipole, Da:

6.33

IP(EA), eV:

 -8.76(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-diphenylurea;4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations