Geometry & MOs

Info

ID:	225692
PubChem CID:	87225365
Reduced:	FNO2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	542.14061
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	0.59
IP(EA), eV:	-8.96(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[3-(butylsulfamoyl)-6-oxo-5-(3-sulfamoylphenyl)cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC(=C)COCC(CF)O.CNC

DOS

IR

Vibrations