Geometry & MOs

Info

ID:	78497
PubChem CID:	49693363
Reduced:	ClFN3O3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	460.183207
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	3.87
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations