Geometry & MOs

Info

ID:

297580

PubChem CID:

117622275

Reduced:

O2H30C45 (1)

Stoich.:

A2B30C45 (1)

Weight, g/mol:

388.160935

ΔHf, kcal/mol:

137.35

Dipole, Da:

2.95

IP(EA), eV:

 -8.43(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z,4E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methyl-6-(2-phenyl-1,3-thiazol-4-yl)hepta-4,6-dien-2-one

Drug info:

PubChemData

Smile

C=COC1=CC2=C(C=C1)C=C(C=C2)C3(C4=C(C=CC5=CC=CC=C54)C6=C3C7=CC=CC=C7C=C6)C8=CC9=C(C=C8)C=C(C=C9)OC=C

DOS

IR

Vibrations