Geometry & MOs

Info

ID:	215016
PubChem CID:	85084002
Reduced:	N2O9C36H62 (1)
Stoich.:	A2B9C36D62 (1)
Weight, g/mol:	666.342137
ΔH_f, kcal/mol:	-426.91
Dipole, Da:	3.08
IP(EA), eV:	-8.93(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-decylsulfanyl-5-[12-(5-decylsulfanylthiophen-2-yl)dodeca-1,3,5,7,9,11-hexaenyl]thiophene

Drug info:

PubChemData

Smile

CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N(C)CCN(CC)CC)C)O)O

DOS

IR

Vibrations