Geometry & MOs

Info

ID:	224588
PubChem CID:	85345134
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	5.24
IP(EA), eV:	-8.4(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(methoxymethoxy)propyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C(=C)C(=O)OC(C)(C)C

DOS

IR

Vibrations