Geometry & MOs

Info

ID:	366223
PubChem CID:	127319672
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	3.32
IP(EA), eV:	-10.01(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[(1,1-dioxothian-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations