Geometry & MOs

Info

ID:

62950

PubChem CID:

26737763

Reduced:

N3O4H19C22 (1)

Stoich.:

A3B4C19D22 (1)

Weight, g/mol:

423.100125

ΔHf, kcal/mol:

-27.99

Dipole, Da:

3.54

IP(EA), eV:

 -8.79(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-(2-methyl-3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations