Geometry & MOs

Info

ID:

327557

PubChem CID:

126690333

Reduced:

SN2O4C35H40 (1)

Stoich.:

AB2C4D35E40 (1)

Weight, g/mol:

391.208219

ΔHf, kcal/mol:

-21.33

Dipole, Da:

2.51

IP(EA), eV:

 -8.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1E,3E)-3-[(6E)-6-(1-aminoethylidene)cyclohexa-2,4-dien-1-ylidene]penta-1,4-dienyl]-3-methyl-N'-[(E)-pent-1-enyl]thiophene-2-carboximidamide

Drug info:

PubChemData

Smile

CCCCC=N/C(=C/1\C(C(=CS1)/C=C/C2=C(C=CC(=C2)C(=O)NC3CC3)C)C)/C#CC4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations