Geometry & MOs

Info

ID:

219329

PubChem CID:

85098777

Reduced:

S4N6O7C36H44 (1)

Stoich.:

A4B6C7D36E44 (1)

Weight, g/mol:

800.451687

ΔHf, kcal/mol:

-119.08

Dipole, Da:

5.21

IP(EA), eV:

 -8.88(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dibutyl-2-butylsulfanyl-5-[18-(3,4-dibutyl-5-butylsulfanylthiophen-2-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]thiophene

Drug info:

PubChemData

Smile

CC(C)C1(C(=O)N2C3C(C(C2(C(=O)N1C)SC)O)(C4=CC=CC=C4N3)C56C(C7(C(=O)N(C(C(=O)N7C5NC8=CC=CC=C68)(CO)SC)C)SC)O)SC

DOS

IR

Vibrations