Geometry & MOs

Info

ID:	276007
PubChem CID:	103819884
Reduced:	BrNSO2F3C13H15 (1)
Stoich.:	ABCD2E3F13G15 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-239.2
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-(2-hydroxy-4-methylpentyl)butanamide

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC(=O)C1=C(C=CC(=C1)C(F)(F)F)Br

DOS

IR

Vibrations