Geometry & MOs

Info

ID:	225736
PubChem CID:	87225409
Reduced:	N2O2C5H8 (1)
Stoich.:	A2B2C5D8 (1)
Weight, g/mol:	538.127068
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	3.21
IP(EA), eV:	-9.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C)N=N

DOS

IR

Vibrations