Geometry & MOs

Info

ID:	78535
PubChem CID:	49693498
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	371.097349
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	5.28
IP(EA), eV:	-9.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CC3

DOS

IR

Vibrations