Geometry & MOs

Info

ID:	32129
PubChem CID:	4266323
Reduced:	SF2N3O3H15C17 (1)
Stoich.:	AB2C3D3E15F17 (1)
Weight, g/mol:	491.052954
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	2.88
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-nitrophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations