Geometry & MOs

Info

ID:	447031
PubChem CID:	135279695
Reduced:	ClO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	546.147593
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	1.55
IP(EA), eV:	-10.46(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-7-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiole

Drug info:

PubChemData

Smile

CC(C)CC(C(C(C)C)Cl)C(=O)OC

DOS

IR

Vibrations