Geometry & MOs

Info

ID:	300200
PubChem CID:	121269843
Reduced:	SN2O3F5H9C16 (1)
Stoich.:	AB2C3D5E9F16 (1)
Weight, g/mol:	484.073834
ΔH_f, kcal/mol:	-286.7
Dipole, Da:	2.65
IP(EA), eV:	-9.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[4-(3-cyano-5-fluorophenoxy)-2,2-difluoro-7-methylsulfonyl-3H-inden-1-ylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=C(C(=C3C(=C2C(F)F)C(C(S3)(F)F)N)O)O)F)C#N

DOS

IR

Vibrations