Geometry & MOs

Info

ID:

378910

PubChem CID:

134225013

Reduced:

O4H32C39 (1)

Stoich.:

A4B32C39 (1)

Weight, g/mol:

726.440996

ΔHf, kcal/mol:

-41.22

Dipole, Da:

0.65

IP(EA), eV:

 -8.47(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6,7-didehydroindol-1-yl)-N-[[(1S)-2-(6,7-dihydroindol-1-yl)cyclohexyl]-[[(Z)-7-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]-4-methylideneoct-5-enylidene]amino]methylidene]-N'-methylbenzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC3=C(C(=CC=C3)C4=CC=CC=C4O)O)CC5=C(C(=CC=C5)C6=CC=CC=C6O)O

DOS

IR

Vibrations