Geometry & MOs

Info

ID:

1587

PubChem CID:

4732

Reduced:

ClNO6C37H44 (1)

Stoich.:

ABC6D37E44 (1)

Weight, g/mol:

633.285716

ΔHf, kcal/mol:

-124.16

Dipole, Da:

1.91

IP(EA), eV:

 -8.32(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol

Drug info:

PubChemData

Smile

CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O

DOS

IR

Vibrations