Geometry & MOs

Info

ID:	259722
PubChem CID:	103172989
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	292.07693
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	3.27
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=C(C=CO2)Br)C(=O)OC

DOS

IR

Vibrations