Geometry & MOs

Info

ID:	213220
PubChem CID:	81063194
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	357.03758
ΔH_f, kcal/mol:	-133.44
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=CC=CC=C1Cl

DOS

IR

Vibrations