Geometry & MOs

Info

ID:	134596
PubChem CID:	51720143
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	474.098737
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	4.92
IP(EA), eV:	-8.76(0.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[1-(carboxylatomethyl)-6-chloroindol-3-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=C(N2)C)C(=O)OC)[C@@H]3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations