Geometry & MOs

Info

ID:	57950
PubChem CID:	24398012
Reduced:	ClON2S2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	437.107709
ΔH_f, kcal/mol:	10.35
Dipole, Da:	4.13
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CSCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations