Geometry & MOs

Info

ID:	225680
PubChem CID:	87225353
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	508.152889
ΔH_f, kcal/mol:	-91.79
Dipole, Da:	4.9
IP(EA), eV:	-10.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(NC(=O)C=C)OCC1CO1

DOS

IR

Vibrations