Geometry & MOs

Info

ID:	123162
PubChem CID:	50835875
Reduced:	ClN2O2S3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	410.155432
ΔH_f, kcal/mol:	-16.72
Dipole, Da:	5.6
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=C(S2)C)S(=O)(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations