Geometry & MOs

Info

ID:	400003
PubChem CID:	135044430
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	4.22
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dicyano-3-methylidenehept-6-en-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CN1C2=C(CC(=O)N(C2)S(=O)(=O)C)C3=CC=CC=C31

DOS

IR

Vibrations