Geometry & MOs

Info

ID:	8892
PubChem CID:	83169
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	7.52
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations