Geometry & MOs

Info

ID:	213492
PubChem CID:	81063897
Reduced:	ClNSO3C7H16 (1)
Stoich.:	ABCD3E7F16 (1)
Weight, g/mol:	317.00628
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	5.61
IP(EA), eV:	-9.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-fluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)CCCl

DOS

IR

Vibrations