Geometry & MOs

Info

ID:	188626
PubChem CID:	77744864
Reduced:	ClN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	585.15974
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	5.87
IP(EA), eV:	-9.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3'-(3-chlorophenyl)-N-(3,4-dihydroxybutyl)-5-fluoro-2-oxo-5'-(2-phenylethyl)spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN(C)C(=O)C2C(C(=O)NC(N2)C3=CC=CO3)O)Cl

DOS

IR

Vibrations