Geometry & MOs

Info

ID:	213805
PubChem CID:	81065038
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	3.12
IP(EA), eV:	-9.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations