Geometry & MOs

Info

ID:	307079
PubChem CID:	125267515
Reduced:	ClN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	434.13972
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	6.09
IP(EA), eV:	-8.59(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-chloro-2H-indol-3-yl)-2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)[C@@H]3CCCN3[C@H](C4=C5C=C(C=CC5=NC4)Cl)C(=O)O

DOS

IR

Vibrations