Geometry & MOs

Info

ID:

387396

PubChem CID:

134985229

Reduced:

N2O2C5H7 (2)

Stoich.:

A2B2C5D7 (2)

Weight, g/mol:

464.361408

ΔHf, kcal/mol:

-64.84

Dipole, Da:

4.16

IP(EA), eV:

 -8.56(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]nitramide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NCCN[N+](=O)[O-]

DOS

IR

Vibrations