Geometry & MOs

Info

ID:	366181
PubChem CID:	127319590
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-175.09
Dipole, Da:	7.43
IP(EA), eV:	-9.13(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-(1,1-dioxothian-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations