Geometry & MOs

Info

ID:

328629

PubChem CID:

126726119

Reduced:

N4O4H42C45 (1)

Stoich.:

A4B4C42D45 (1)

Weight, g/mol:

483.034748

ΔHf, kcal/mol:

-0.55

Dipole, Da:

5.3

IP(EA), eV:

 -7.9(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-formyloxy-6-[4-(2-thieno[3,2-b]thiophen-5-ylethynyl)pyridin-2-yl]pyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC(=NC=C3)C4=NC(=CC(=C4)OC=O)C5=NC=CC(=C5)OC=O)C6=CC=C(C=C6)C(C)(C)C

DOS

IR

Vibrations