Geometry & MOs

Info

ID:	4653
PubChem CID:	11811
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-145.45
Dipole, Da:	4.74
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations