Geometry & MOs

Info

ID:	223804
PubChem CID:	85335595
Reduced:	S2O9H26C28 (1)
Stoich.:	A2B9C26D28 (1)
Weight, g/mol:	571.226961
ΔH_f, kcal/mol:	-276.48
Dipole, Da:	5.24
IP(EA), eV:	-9.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(C(=O)C(=O)O1)SC2=CC=C(C=C2)C=CC(=O)OC)CSC3=CC=C(C=C3)C=CC(=O)OC

DOS

IR

Vibrations