Geometry & MOs

Info

ID:	358309
PubChem CID:	127295854
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	395.108582
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	5.05
IP(EA), eV:	-9.03(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations