Geometry & MOs

Info

ID:	433284
PubChem CID:	135173421
Reduced:	SO3N5C30H31 (1)
Stoich.:	AB3C5D30E31 (1)
Weight, g/mol:	610.188606
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	5.25
IP(EA), eV:	-8.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[[3-[[2-(3-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)NSC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)OC

DOS

IR

Vibrations