Geometry & MOs

Info

ID:	412419
PubChem CID:	135085310
Reduced:	SO2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	7.44
IP(EA), eV:	-9.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-methylcyclohexa-2,5-dien-1-yl)but-2-ynoate

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)C=C(C1)C2=CC=CC=C2

DOS

IR

Vibrations