Geometry & MOs

Info

ID:	33951
PubChem CID:	7888965
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	338.065989
ΔH_f, kcal/mol:	74.47
Dipole, Da:	6.56
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations