Geometry & MOs

Info

ID:

334471

PubChem CID:

127253023

Reduced:

O4N6H28C29 (1)

Stoich.:

A4B6C28D29 (1)

Weight, g/mol:

497.158685

ΔHf, kcal/mol:

45.38

Dipole, Da:

5.76

IP(EA), eV:

 -8.97(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R)-11-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)[N+](=O)[O-])C5=CC=CC(=O)N5C3)C(=O)NCCC6=NC7=CC=CC=C7N6

DOS

IR

Vibrations