Geometry & MOs

Info

ID:	77455
PubChem CID:	49635630
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	7.38
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)CC

DOS

IR

Vibrations