Geometry & MOs

Info

ID:	195482
PubChem CID:	78693238
Reduced:	SO3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	351.050261
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	7.15
IP(EA), eV:	-9.24(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[3-[4-(difluoromethoxy)-3,5-dimethylphenyl]prop-2-enoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C=CC(=O)C3=CC=C(S3)C(=O)O

DOS

IR

Vibrations