Geometry & MOs

Info

ID:	258846
PubChem CID:	103157226
Reduced:	NO2C4H8 (2)
Stoich.:	AB2C4D8 (2)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-191.38
Dipole, Da:	4.52
IP(EA), eV:	-10.08(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(CC(=O)O)OC)N

DOS

IR

Vibrations