Geometry & MOs

Info

ID:

163926

PubChem CID:

74380854

Reduced:

O3N4C25H28 (1)

Stoich.:

A3B4C25D28 (1)

Weight, g/mol:

668.461182

ΔHf, kcal/mol:

-29.24

Dipole, Da:

3.56

IP(EA), eV:

 -8.89(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(NN2)C5=NC=CO5

DOS

IR

Vibrations