Geometry & MOs

Info

ID:	273623
PubChem CID:	103771501
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	317.04267
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	1.36
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1CSC2=CC=CC=C12)O

DOS

IR

Vibrations