Geometry & MOs

Info

ID:	340454
PubChem CID:	127262465
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	394.015593
ΔH_f, kcal/mol:	-157.72
Dipole, Da:	4.44
IP(EA), eV:	-9.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethenyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C/C(=C/C1=CC(=CC=C1)C(=O)OC)/C

DOS

IR

Vibrations