Geometry & MOs

Info

ID:	27403
PubChem CID:	821147
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	5.66
IP(EA), eV:	-9.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-acetylanilino)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N(C=O)C1=CC=CC=C1

DOS

IR

Vibrations