Geometry & MOs

Info

ID:	162074
PubChem CID:	57393524
Reduced:	SO2N4C32H34 (1)
Stoich.:	AB2C4D32E34 (1)
Weight, g/mol:	520.135225
ΔH_f, kcal/mol:	14.28
Dipole, Da:	5.99
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)CC2=CC(=CC=C2)C3=CC=C(C=C3)CCNCCC4=C5C(=C(C=C4)O)NC(=O)S5

DOS

IR

Vibrations