Geometry & MOs

Info

ID:

297631

PubChem CID:

117624347

Reduced:

O3N4C23H24 (1)

Stoich.:

A3B4C23D24 (1)

Weight, g/mol:

376.297745

ΔHf, kcal/mol:

-37.55

Dipole, Da:

4.74

IP(EA), eV:

 -8.8(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2=CC(=NN2C3=CC=CC=C3)NC(=O)[C@@H]4CC(=O)NC4

DOS

IR

Vibrations