Geometry & MOs

Info

ID:

43934

PubChem CID:

10322142

Reduced:

ClN2O2C28H31 (1)

Stoich.:

AB2C2D28E31 (1)

Weight, g/mol:

463.308644

ΔHf, kcal/mol:

-38.82

Dipole, Da:

3.47

IP(EA), eV:

 -8.24(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-hexyl-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4Cl)OC

DOS

IR

Vibrations