Geometry & MOs

Info

ID:	351652
PubChem CID:	127280719
Reduced:	O2S2N5C16H17 (1)
Stoich.:	A2B2C5D16E17 (1)
Weight, g/mol:	325.066717
ΔH_f, kcal/mol:	23.57
Dipole, Da:	6.11
IP(EA), eV:	-8.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations