Geometry & MOs

Info

ID:

53605

PubChem CID:

14716915

Reduced:

N4S4O5H14C28 (1)

Stoich.:

A4B4C5D14E28 (1)

Weight, g/mol:

628.931096

ΔHf, kcal/mol:

65.63

Dipole, Da:

4.82

IP(EA), eV:

 -8.98(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[5-[5-[(E)-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]diazenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)NC(=O)C3=C/C(=N\NC4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)C7=CC=C(S7)[N+](=O)[O-])/C2=O

DOS

IR

Vibrations