Geometry & MOs

Info

ID:

163908

PubChem CID:

74380729

Reduced:

ClON2C24H25 (1)

Stoich.:

ABC2D24E25 (1)

Weight, g/mol:

710.471746

ΔHf, kcal/mol:

17.44

Dipole, Da:

5.01

IP(EA), eV:

 -8.25(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)C2=CC3=C(CCC3NC4=CC(=CC=C4)Cl)C=C2

DOS

IR

Vibrations