Geometry & MOs

Info

ID:

299761

PubChem CID:

117689210

Reduced:

ON2H10C16 (1)

Stoich.:

AB2C10D16 (1)

Weight, g/mol:

1476.746427

ΔHf, kcal/mol:

34.17

Dipole, Da:

6.98

IP(EA), eV:

-8.98(-1.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(E)-[4-[6-[4-[11-(2-ethylhexyl)-8-[(Z)-N-hydroxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]benzo[a]carbazole-5-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]methylideneamino] 2-[11-(2-ethylhexyl)-8-(3,5,5-trimethylhexanoyl)benzo[a]carbazol-5-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=NC(=O)N4

DOS

IR

Vibrations