Geometry & MOs

Info

ID:	396753
PubChem CID:	135029148
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	371.031768
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	3.01
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-6-methyl-5-(4-methylphenyl)sulfanyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

Drug info:

PubChemData

Smile

C1C=COCC1(C2=NC=CC=N2)C(=O)NCCO

DOS

IR

Vibrations