Geometry & MOs

Info

ID:

395671

PubChem CID:

135026223

Reduced:

O6N7C51H59 (1)

Stoich.:

A6B7C51D59 (1)

Weight, g/mol:

319.080435

ΔHf, kcal/mol:

-69.18

Dipole, Da:

6.34

IP(EA), eV:

 -8.99(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-hydroxy-1-methyl-7-nitro-6-oxo-2,3-dihydropyrrolo[1,2-a]imidazol-5-yl)benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC(=O)N(CC#C)CC(=O)N(CC(=O)N(CC(=O)N(CC#C)CC(=O)N(CC(=O)NC)[C@@H](C)C2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)[C@@H](C)C4=CC=CC=C4

DOS

IR

Vibrations