Geometry & MOs

Info

ID:	258321
PubChem CID:	103152888
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	7.79
IP(EA), eV:	-9.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)NC(=O)C2

DOS

IR

Vibrations