Geometry & MOs

Info

ID:

168733

PubChem CID:

75011931

Reduced:

FNO17C54H78 (1)

Stoich.:

ABC17D54E78 (1)

Weight, g/mol:

346.141638

ΔHf, kcal/mol:

-685.85

Dipole, Da:

9.26

IP(EA), eV:

 -8.45(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations