Geometry & MOs

Info

ID:	77452
PubChem CID:	49635611
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	365.063462
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	4.93
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations