Geometry & MOs

Info

ID:	366255
PubChem CID:	127319712
Reduced:	ClSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	6.43
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-propanoylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations