Geometry & MOs

Info

ID:	78525
PubChem CID:	49693479
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	391.042726
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	2.45
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations