Geometry & MOs

Info

ID:	143971
PubChem CID:	53289262
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	424.10237
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	3.34
IP(EA), eV:	-8.19(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methylsulfonyl]-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)N(C)C)OC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations