Geometry & MOs

Info

ID:	351647
PubChem CID:	127280714
Reduced:	S2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	377.098017
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	5.89
IP(EA), eV:	-8.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations