Geometry & MOs

Info

ID:	225667
PubChem CID:	87225340
Reduced:	NSO5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	482.100854
ΔH_f, kcal/mol:	-140.74
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929218
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-N-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCS(=O)(=O)O[N+]1=CC=CC=C1

DOS

IR

Vibrations