Geometry & MOs

Info

ID:	298582
PubChem CID:	117651413
Reduced:	ClF2N2O2H9C16 (1)
Stoich.:	AB2C2D2E9F16 (1)
Weight, g/mol:	397.015568
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	4.17
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-methylsulfonyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]oxybenzamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)OC3=C(C=C(C(=C3)F)C(=O)N)F)Cl

DOS

IR

Vibrations