Geometry & MOs

Info

ID:	204643
PubChem CID:	79992389
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	-90.44
Dipole, Da:	0.74
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(3-methylthiophen-2-yl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=C(C=CS1)C

DOS

IR

Vibrations