Geometry & MOs

Info

ID:

134240

PubChem CID:

51666676

Reduced:

N4O5C14H18 (1)

Stoich.:

A4B5C14D18 (1)

Weight, g/mol:

487.329774

ΔHf, kcal/mol:

-94.36

Dipole, Da:

11.64

IP(EA), eV:

 -9.05(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9R,10R,13R,14R,16S,17R)-17-acetamido-16-butanoyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C(\C)/NNC(=O)COC

DOS

IR

Vibrations