Geometry & MOs

Info

ID:	175208
PubChem CID:	75866831
Reduced:	SN2O3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	455.137814
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	5.52
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide

Drug info:

PubChemData

Smile

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations