Geometry & MOs

Info

ID:	188057
PubChem CID:	77662138
Reduced:	N2O7C39H42 (1)
Stoich.:	A2B7C39D42 (1)
Weight, g/mol:	488.062525
ΔH_f, kcal/mol:	-195.59
Dipole, Da:	4.24
IP(EA), eV:	-8.32(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-(3,4-dichlorophenyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC(=CCNC(CC1=CC=CC=C1)(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations