Geometry & MOs

Info

ID:	433146
PubChem CID:	135173283
Reduced:	NO3F6H17C23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-346.07
Dipole, Da:	8.16
IP(EA), eV:	-9.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(ethylsulfonimidoyl)phenyl]methoxy]-2-[(5-nitroso-1,3-dihydroisoindol-2-yl)methyl]pyran-4-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1CC3=CC(=O)C(=CO3)OCC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations