Geometry & MOs

Info

ID:

317976

PubChem CID:

126648129

Reduced:

SN4O4C34H42 (1)

Stoich.:

AB4C4D34E42 (1)

Weight, g/mol:

525.381809

ΔHf, kcal/mol:

-62.8

Dipole, Da:

3.77

IP(EA), eV:

 -6.92(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4E,8E)-11-[6-hydroxy-2,8-dimethyl-5-(piperidin-1-ylmethyl)-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienylidene]propane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1(CC2=C(C1)C=C(C=C2)C=O)C3=CC=CC(=C3)C4=C5C=CN(C5=NC=N4)COCCS(C)(C)C

DOS

IR

Vibrations