Geometry & MOs

Info

ID:	366189
PubChem CID:	127319604
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	3.65
IP(EA), eV:	-9.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-(2-methylpropanoyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2C(C)C)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations