Geometry & MOs

Info

ID:	45712
PubChem CID:	10516835
Reduced:	ClNO5C11H18 (1)
Stoich.:	ABC5D11E18 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-212.64
Dipole, Da:	6.71
IP(EA), eV:	-10.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-formamido-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

COCN1[C@@H](COC1=O)[C@@H](/C=C/CCl)OCOC

DOS

IR

Vibrations