Geometry & MOs

Info

ID:	307689
PubChem CID:	125308105
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	5.02
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-[[(1R)-1-carboxy-2-(2H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C(=NC(=O)NC1=O)CNC2=CC=CC=C2Cl

DOS

IR

Vibrations