Geometry & MOs

Info

ID:	300214
PubChem CID:	121269863
Reduced:	NO3F6H9C11 (1)
Stoich.:	AB3C6D9E11 (1)
Weight, g/mol:	423.030075
ΔH_f, kcal/mol:	-393.08
Dipole, Da:	6.79
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R)-7-(3-cyano-5-fluorophenoxy)-2-fluoro-3-oxo-1,2-dihydroinden-4-yl]-(difluoromethyl)-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC(=CC(=C1)C(F)(F)F)OC)OC(F)(F)F

DOS

IR

Vibrations