Geometry & MOs

Info

ID:	213593
PubChem CID:	81064325
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	359.01908
ΔH_f, kcal/mol:	-179.05
Dipole, Da:	2.62
IP(EA), eV:	-9.76(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCCN1C(=O)C2CC2

DOS

IR

Vibrations