Geometry & MOs

Info

ID:	25676
PubChem CID:	628380
Reduced:	O7H18C20 (1)
Stoich.:	A7B18C20 (1)
Weight, g/mol:	312.043185
ΔH_f, kcal/mol:	-239.17
Dipole, Da:	8.2
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=O)C=C(C4=C3O)O)O)O

DOS

IR

Vibrations