Geometry & MOs

Info

ID:

24481

PubChem CID:

610567

Reduced:

SO7C39H52 (1)

Stoich.:

AB7C39D52 (1)

Weight, g/mol:

664.343375

ΔHf, kcal/mol:

-292.91

Dipole, Da:

2.42

IP(EA), eV:

 -8.73(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21,24-dihydroxy-5',11,13,22-tetramethyl-12-phenylsulfanyl-6'-propan-2-ylspiro[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

CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)SC6=CC=CC=C6)C)OC1C(C)C

DOS

IR

Vibrations