Geometry & MOs

Info

ID:	155869
PubChem CID:	56368017
Reduced:	ClSF2N3O3H18C20 (1)
Stoich.:	ABC2D3E3F18G20 (1)
Weight, g/mol:	442.072961
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	2.56
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations