Geometry & MOs

Info

ID:

378147

PubChem CID:

134224221

Reduced:

FN4O4C32H33 (1)

Stoich.:

AB4C4D32E33 (1)

Weight, g/mol:

896.465204

ΔHf, kcal/mol:

-85.6

Dipole, Da:

3.88

IP(EA), eV:

 -8.94(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6'-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4CC=CC(=C4)C(=O)NC(C)(C)C5=NOC=N5

DOS

IR

Vibrations