Geometry & MOs

Info

ID:

439510

PubChem CID:

135229284

Reduced:

F2N3O4H25C26 (1)

Stoich.:

A2B3C4D25E26 (1)

Weight, g/mol:

802.482192

ΔHf, kcal/mol:

-169.48

Dipole, Da:

4.92

IP(EA), eV:

 -8.93(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2E,6E)-2,6-bis[(2E)-2-(1-pentan-2-ylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexylidene]-1-butyl-6-hydroxy-3-propan-2-yl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1CCN2C=C(C3=C2C=CC(=C3)F)C4=C(C(=O)NC4=O)C5=CC(=CC=C5)OCCF

DOS

IR

Vibrations