Geometry & MOs

Info

ID:	213219
PubChem CID:	81063192
Reduced:	NBr2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-156.51
Dipole, Da:	3.51
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2-chlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=C(C=C(C=C1)Br)Br

DOS

IR

Vibrations