Geometry & MOs

Info

ID:

180588

PubChem CID:

76658544

Reduced:

ClFN2O2C11H12 (1)

Stoich.:

ABC2D2E11F12 (1)

Weight, g/mol:

796.322379

ΔHf, kcal/mol:

-90.4

Dipole, Da:

2.48

IP(EA), eV:

-9.18(-0.64)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)ethyl 2-methyl-4-[8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-12-phosphonooxy-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=NNCC1=CC=CC=C1F)Cl

DOS

IR

Vibrations