Geometry & MOs

Info

ID:	33982
PubChem CID:	7889123
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	358.011366
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	3.65
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@H](C)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations