Geometry & MOs

Info

ID:	156252
PubChem CID:	56369832
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	369.099252
ΔH_f, kcal/mol:	-70.06
Dipole, Da:	10.12
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations