Geometry & MOs

Info

ID:	320510
PubChem CID:	126661528
Reduced:	O3S3N4C21H26 (1)
Stoich.:	A3B3C4D21E26 (1)
Weight, g/mol:	462.085404
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	6.42
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations