Geometry & MOs

Info

ID:

187690

PubChem CID:

77610836

Reduced:

O3N5C30H31 (1)

Stoich.:

A3B5C30D31 (1)

Weight, g/mol:

522.37091

ΔHf, kcal/mol:

4.88

Dipole, Da:

5.0

IP(EA), eV:

 -8.41(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] benzoate

Drug info:

PubChemData

Smile

CCC(COC1=CN=CC(=C1)C2=NC(=C3C=NC4=CC(=C(C=C4C3=C2)OC)OC)N)NCC5=CC=CC=C5

DOS

IR

Vibrations