Geometry & MOs

Info

ID:	259719
PubChem CID:	103172948
Reduced:	SO4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	300.043185
ΔH_f, kcal/mol:	-121.72
Dipole, Da:	4.93
IP(EA), eV:	-8.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=C(C=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations