Geometry & MOs

Info

ID:	392457
PubChem CID:	135016613
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	404.092974
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	3.69
IP(EA), eV:	-8.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(benzenesulfonyl)-2-oxo-1,4,5,7-tetrahydroazulene-6,6-dicarboxylate

Drug info:

PubChemData

Smile

CN1C=C2C(=C(C(=C(C2=N1)F)OC)F)F

DOS

IR

Vibrations