Geometry & MOs

Info

ID:

163959

PubChem CID:

74381074

Reduced:

N2O11C42H68 (1)

Stoich.:

A2B11C42D68 (1)

Weight, g/mol:

626.414231

ΔHf, kcal/mol:

-493.76

Dipole, Da:

4.8

IP(EA), eV:

 -8.52(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-2,4,6,8,12,19-hexamethyl-16-methylidene-10,14-dioxa-1-azabicyclo[11.4.2]nonadecane-7,9-dione

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(=C)CO2)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC3=CC=C(C=C3)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)(C)O

DOS

IR

Vibrations