Geometry & MOs

Info

ID:	321738
PubChem CID:	126666912
Reduced:	NO4H19C24 (2)
Stoich.:	AB4C19D24 (2)
Weight, g/mol:	413.985939
ΔH_f, kcal/mol:	-108.1
Dipole, Da:	4.85
IP(EA), eV:	-7.76(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=C(OC(=O)C4=C3C(=O)OC=C4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

DOS

IR

Vibrations