Geometry & MOs

Info

ID:	327505
PubChem CID:	126690161
Reduced:	ON3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	394.040562
ΔH_f, kcal/mol:	-44.14
Dipole, Da:	2.39
IP(EA), eV:	-8.9(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1CNCC1N2CCNC(C2)O

DOS

IR

Vibrations