Geometry & MOs

Info

ID:	258360
PubChem CID:	103153197
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	4.33
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations