Geometry & MOs

Info

ID:	158037
PubChem CID:	56459427
Reduced:	ClON6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	78.04
Dipole, Da:	2.78
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethylsulfamoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC(C3=CC=CC=C3)C4=NNC(=N4)C

DOS

IR

Vibrations