Geometry & MOs

Info

ID:

299819

PubChem CID:

117695758

Reduced:

O2F3N4C17H17 (1)

Stoich.:

A2B3C4D17E17 (1)

Weight, g/mol:

1318.96431

ΔHf, kcal/mol:

-202.23

Dipole, Da:

6.71

IP(EA), eV:

 -9.65(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 4-[3-[methyl-[2-[2-[methyl-[3-[[4-oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butanoyl]amino]propyl]amino]ethyldisulfanyl]ethyl]amino]propylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=NC(=NC(=C2)C)NC(=O)C)C(F)(F)F

DOS

IR

Vibrations