Geometry & MOs

Info

ID:	336644
PubChem CID:	127255651
Reduced:	ClN2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-193.19
Dipole, Da:	4.72
IP(EA), eV:	-9.85(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CN1C(=O)C2=CC=CC=C2C1=O)N.Cl

DOS

IR

Vibrations