Geometry & MOs

Info

ID:	243137
PubChem CID:	99215905
Reduced:	ClNS2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	440.247521
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	2.33
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations