Geometry & MOs

Info

ID:

308436

PubChem CID:

125327978

Reduced:

FNCl2O3H6C11 (1)

Stoich.:

ABC2D3E6F11 (1)

Weight, g/mol:

812.493544

ΔHf, kcal/mol:

-101.82

Dipole, Da:

3.46

IP(EA), eV:

 -10.45(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (19S,20R)-5-ethenyl-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-21,23-diene-20,21-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=NOC(=C2C(=O)O)CCl)F

DOS

IR

Vibrations