Geometry & MOs

Info

ID:	389972
PubChem CID:	134996314
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	0.71
IP(EA), eV:	-9.58(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-4,5-dimethyl-2-(3-methylbut-3-enyl)-2,3-dihydrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=C[C@@]1(C)CCC=C)OC(=O)OC

DOS

IR

Vibrations