Geometry & MOs

Info

ID:	258243
PubChem CID:	103152212
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	3.24
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-benzylsulfanylacetyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations