Geometry & MOs

Info

ID:	33910
PubChem CID:	7888691
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	409.103103
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	3.03
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations