Geometry & MOs

Info

ID:	433276
PubChem CID:	135173413
Reduced:	SO3N5C31H33 (1)
Stoich.:	AB3C5D31E33 (1)
Weight, g/mol:	543.194026
ΔH_f, kcal/mol:	20.5
Dipole, Da:	2.86
IP(EA), eV:	-8.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[[3-[(N'-phenylcarbamimidoyl)amino]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC(=C2)NSC3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC)CO

DOS

IR

Vibrations