Geometry & MOs

Info

ID:	338166
PubChem CID:	127258858
Reduced:	ClN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	230.066736
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	8.54
IP(EA), eV:	-9.65(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])Cl

DOS

IR

Vibrations