Geometry & MOs

Info

ID:	77441
PubChem CID:	49635567
Reduced:	ClSN2O3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	375.101955
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	2.36
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenoxy)ethyl]-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCNC(=O)N(CCO)CC2=CSC=C2

DOS

IR

Vibrations