Geometry & MOs

Info

ID:

133008

PubChem CID:

51461106

Reduced:

NO2H7C8 (3)

Stoich.:

AB2C7D8 (3)

Weight, g/mol:

447.143035

ΔHf, kcal/mol:

-102.61

Dipole, Da:

9.9

IP(EA), eV:

 -8.6(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,11R,15R,16S)-16-acetyl-5-methoxy-13-(2-methyl-5-nitrophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H]4C=CC5=C(N4[C@@H]([C@@H]3C2=O)C(=O)C)C=CC(=C5)OC

DOS

IR

Vibrations