Geometry & MOs

Info

ID:

317947

PubChem CID:

126647947

Reduced:

IO2N5C34H42 (1)

Stoich.:

AB2C5D34E42 (1)

Weight, g/mol:

585.348795

ΔHf, kcal/mol:

16.71

Dipole, Da:

3.81

IP(EA), eV:

 -9.69(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2E,6E,10E)-13-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC1CCCC(CC1)(C2=CC=CC(=N2)C3=C4C=NNC4=NC(=N3)I)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations