Geometry & MOs

Info

ID:	300243
PubChem CID:	121269922
Reduced:	FO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	405.039497
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	7.29
IP(EA), eV:	-8.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2C3=NC=C(C=C3)NC(=O)CO)C=C1F

DOS

IR

Vibrations