Geometry & MOs

Info

ID:	209808
PubChem CID:	80725048
Reduced:	NSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	304.113316
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	6.35
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)COC2=C(C=C(C=C2)C#N)OC

DOS

IR

Vibrations