Geometry & MOs

Info

ID:

170465

PubChem CID:

75237045

Reduced:

NO35C63H109 (1)

Stoich.:

AB35C63D109 (1)

Weight, g/mol:

968.582085

ΔHf, kcal/mol:

-1263.07

Dipole, Da:

5.08

IP(EA), eV:

 -8.1(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

COCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OC)OC4C(OC(C(C4OC)OC)OC5C(C(C(OC6C(OC(C(C6OC)OC)OC7C(OC(C(C7OC)OC)OC8C(OC(O2)C(C8OC)OC)COC)COC)COC)OC5C(C#N)O)OC)OC)COC)COC)OC)OC

DOS

IR

Vibrations