Geometry & MOs

Info

ID:	27681
PubChem CID:	823032
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	7.46
IP(EA), eV:	-9.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations