Geometry & MOs

Info

ID:

180556

PubChem CID:

76653245

Reduced:

FINSiO4C32H37 (1)

Stoich.:

ABCDE4F32G37 (1)

Weight, g/mol:

743.330561

ΔHf, kcal/mol:

-204.17

Dipole, Da:

7.04

IP(EA), eV:

 -8.68(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OC(CCC1C(N(C1=O)C2=CC=C(C=C2)I)C3=CC=C(C=C3)O[Si](C)(C)C(C)(C)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations