Geometry & MOs

Info

ID:	273309
PubChem CID:	103770879
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	321.101034
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	2.84
IP(EA), eV:	-10.21(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations