Geometry & MOs

Info

ID:

59104

PubChem CID:

24770964

Reduced:

FO2N3C20H22 (1)

Stoich.:

AB2C3D20E22 (1)

Weight, g/mol:

747.18904

ΔHf, kcal/mol:

-49.76

Dipole, Da:

4.35

IP(EA), eV:

 -8.99(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-bromo-15-methoxy-6-methyl-7-propyl-21-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,7,9,15,18(23),25-octaene-3,10,19,22,26-pentol

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations