Geometry & MOs

Info

ID:

21951

PubChem CID:

594168

Reduced:

NO12C37H67 (1)

Stoich.:

AB12C37D67 (1)

Weight, g/mol:

717.466327

ΔHf, kcal/mol:

-600.77

Dipole, Da:

7.34

IP(EA), eV:

 -8.93(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C

DOS

IR

Vibrations