Geometry & MOs

Info

ID:	399012
PubChem CID:	135037021
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	4.41
IP(EA), eV:	-9.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(benzenesulfinyl)pent-4-enoate

Drug info:

PubChemData

Smile

CC1=C2CC(CC2C(C1=O)C=C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations