Geometry & MOs

Info

ID:	339881
PubChem CID:	127261890
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	399.05447
ΔH_f, kcal/mol:	-130.16
Dipole, Da:	5.44
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-amino-2-[[3-(2-amino-2-carboxyethyl)selanyl-1-carboxypropyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C\2C(=C1)C=CC(=O)/C2=C\N[C@@H](CCC(=O)N)C(=O)O

DOS

IR

Vibrations