Geometry & MOs

Info

ID:

214908

PubChem CID:

85083829

Reduced:

NO8C38H39 (1)

Stoich.:

AB8C38D39 (1)

Weight, g/mol:

637.325082

ΔHf, kcal/mol:

-228.56

Dipole, Da:

3.92

IP(EA), eV:

 -8.47(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(21,24-dihydroxy-5',6',11,13-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl)methyl 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C(=CC(=C2N1)OCCCO)C(=O)OCC3=CC=CC=C3)CC(COCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations