Geometry & MOs

Info

ID:

19416

PubChem CID:

563189

Reduced:

NO5C37H53 (1)

Stoich.:

AB5C37D53 (1)

Weight, g/mol:

591.392374

ΔHf, kcal/mol:

-270.89

Dipole, Da:

3.13

IP(EA), eV:

 -9.27(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[1-(3-acetyloxy-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl]-5-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(N(C1)C(=O)OCC2=CC=CC=C2)C(C)C3C(=O)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C

DOS

IR

Vibrations