Geometry & MOs

Info

ID:	273529
PubChem CID:	103771313
Reduced:	BrFNO2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	299.135528
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	2.78
IP(EA), eV:	-9.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)/C=C/C1=C(C=CC(=C1)Br)F)O

DOS

IR

Vibrations