Geometry & MOs

Info

ID:	244495
PubChem CID:	99355753
Reduced:	SN4O4C26H26 (1)
Stoich.:	AB4C4D26E26 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	6.53
IP(EA), eV:	-8.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanoethylsulfamoyl)-N-[2-(2-phenylethyl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CCC4=CC=CC=C4

DOS

IR

Vibrations