Geometry & MOs

Info

ID:	57701
PubChem CID:	24262987
Reduced:	NS2O4C8H11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	5.7
IP(EA), eV:	-9.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-chlorophenyl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NCCC(=O)O

DOS

IR

Vibrations