Geometry & MOs

Info

ID:

425653

PubChem CID:

135127164

Reduced:

S3H5N6C22 (2)

Stoich.:

A3B5C6D22 (2)

Weight, g/mol:

416.02241

ΔHf, kcal/mol:

635.29

Dipole, Da:

3.34

IP(EA), eV:

 -9.7(-2.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[1-[(Z)-1-[5-(2,2-dicyanoethenyl)thiophen-2-yl]prop-1-enyl]sulfanylethenyl]thiophen-2-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=C(SC(=C1)C(=C(C#N)C#N)C#N)C2=CC(=C(S2)C3=CC=C(S3)C(=C(C#N)C#N)C#N)C4=C(SC(=C4)C5=CC=C(S5)C(=C(C#N)C#N)C#N)C6=CC=C(S6)C(=C(C#N)C#N)C#N

DOS

IR

Vibrations