Geometry & MOs

Info

ID:

21842

PubChem CID:

591978

Reduced:

ClO7C34H49 (1)

Stoich.:

AB7C34D49 (1)

Weight, g/mol:

604.316682

ΔHf, kcal/mol:

-332.4

Dipole, Da:

2.8

IP(EA), eV:

 -9.38(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-butan-2-yl-12-chloro-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Drug info:

PubChemData

Smile

CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)Cl)C)C

DOS

IR

Vibrations