Geometry & MOs

Info

ID:	78536
PubChem CID:	49693500
Reduced:	S2N3O4C15H21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	405.058376
ΔH_f, kcal/mol:	-140.22
Dipole, Da:	4.22
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations