Geometry & MOs

Info

ID:

336626

PubChem CID:

127255633

Reduced:

PN2O8C24H29 (1)

Stoich.:

AB2C8D24E29 (1)

Weight, g/mol:

432.32396

ΔHf, kcal/mol:

-338.9

Dipole, Da:

2.78

IP(EA), eV:

 -8.45(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5Z)-5-[(2E)-2-[1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OP(=O)(O)O.O

DOS

IR

Vibrations