Geometry & MOs

Info

ID:	213329
PubChem CID:	81063463
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	301.053942
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	4.2
IP(EA), eV:	-9.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=CC(=CC=C1)O

DOS

IR

Vibrations