Geometry & MOs

Info

ID:	29905
PubChem CID:	838133
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-156.51
Dipole, Da:	5.57
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butanoylamino)-4-chloro-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations