Geometry & MOs

Info

ID:

222991

PubChem CID:

85333697

Reduced:

NO12C44H71 (1)

Stoich.:

AB12C44D71 (1)

Weight, g/mol:

807.478229

ΔHf, kcal/mol:

-485.17

Dipole, Da:

14.88

IP(EA), eV:

 -7.38(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-16-(3-quinolin-8-ylpropyl)-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.015,20]icos-1(18)-ene-7,9,14-trione

Drug info:

PubChemData

Smile

CCC1CC(C2C(CC(CC(=CC(C(=O)CC(C(C(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(=CC4CCC(C(C4)OC)O)C)C)O)CC)C)C)OC)OC

DOS

IR

Vibrations