Geometry & MOs

Info

ID:	300227
PubChem CID:	121269884
Reduced:	BrNSF4O6H12C17 (1)
Stoich.:	ABCD4E6F12G17 (1)
Weight, g/mol:	405.039497
ΔH_f, kcal/mol:	-396.78
Dipole, Da:	2.02
IP(EA), eV:	-10.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[7-(3-cyano-5-fluorophenoxy)-2,2-difluoro-3-oxo-1H-inden-4-yl]-methyl-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C=CC(=C2[C@H]1O)S(=O)(=O)C(F)(F)F)OC3=CC(=CC(=C3)Br)F)NC(=O)O

DOS

IR

Vibrations