Geometry & MOs

Info

ID:	344289
PubChem CID:	127267465
Reduced:	SO2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	343.094389
ΔH_f, kcal/mol:	34.06
Dipole, Da:	6.63
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrafluoro-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2(COC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations