Geometry & MOs

Info

ID:	244046
PubChem CID:	99309516
Reduced:	SF2N3O5C23H27 (1)
Stoich.:	AB2C3D5E23F27 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-267.68
Dipole, Da:	4.2
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations