Geometry & MOs

Info

ID:

180203

PubChem CID:

76596128

Reduced:

NO10C34H57 (1)

Stoich.:

AB10C34D57 (1)

Weight, g/mol:

599.366947

ΔHf, kcal/mol:

-509.95

Dipole, Da:

6.79

IP(EA), eV:

 -8.19(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,3-dihydroxypentan-2-yl)-9-(3-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecane-5,7-dione

Drug info:

PubChemData

Smile

CCC1C(OC(O1)(C)C)(C)C2C(C3C(CC(O3)(C(C(C(=O)C(C(=O)O2)C)C)OC4C(C(CC(O4)C)N5CCOCC5)O)C)C)C

DOS

IR

Vibrations