Geometry & MOs

Info

ID:	415899
PubChem CID:	135088901
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	7.46
IP(EA), eV:	-9.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(1H-indole-7-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations