Geometry & MOs

Info

ID:

1318

PubChem CID:

4155

Reduced:

NO5C18H24 (2)

Stoich.:

AB5C18D24 (2)

Weight, g/mol:

668.330896

ΔHf, kcal/mol:

-303.82

Dipole, Da:

3.62

IP(EA), eV:

 -8.42(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)OC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C

DOS

IR

Vibrations