Geometry & MOs

Info

ID:	400388
PubChem CID:	135047758
Reduced:	OH20C21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	280.07693
ΔH_f, kcal/mol:	78.65
Dipole, Da:	0.91
IP(EA), eV:	-8.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/COC2=CC=CC=C2C#CCC=C

DOS

IR

Vibrations