Geometry & MOs

Info

ID:	70742
PubChem CID:	48413804
Reduced:	S2O3N4C17H24 (1)
Stoich.:	A2B3C4D17E24 (1)
Weight, g/mol:	418.086639
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	6.63
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylsulfamoyl)-4-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations