Geometry & MOs

Info

ID:

170502

PubChem CID:

75242716

Reduced:

N3O5C30H31 (1)

Stoich.:

A3B5C30D31 (1)

Weight, g/mol:

732.477226

ΔHf, kcal/mol:

-135.5

Dipole, Da:

4.12

IP(EA), eV:

 -9.1(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[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] N-(3-ethoxypropyl)carbamate

Drug info:

PubChemData

Smile

C1CC(C(N(C1)C(=O)OCC2=CC=CC=C2)C(CN3C=NC4=CC=CC=C4C3=O)O)OCC5=CC=CC=C5

DOS

IR

Vibrations