Geometry & MOs

Info

ID:	382004
PubChem CID:	134972903
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	407.056432
ΔH_f, kcal/mol:	-91.44
Dipole, Da:	3.22
IP(EA), eV:	-9.67(0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-(2-cyclopenta-1,4-dien-1-ylethynyl)-2-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

CC(=O)C1(CC1)NC(=O)C2CCCCC2

DOS

IR

Vibrations