Geometry & MOs

Info

ID:

161368

PubChem CID:

57391467

Reduced:

ClO2N3H14C17 (1)

Stoich.:

AB2C3D14E17 (1)

Weight, g/mol:

712.372367

ΔHf, kcal/mol:

7.08

Dipole, Da:

6.62

IP(EA), eV:

-8.09(-1.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,9S,10S)-3-[4-[[(1R,9S,10S)-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-3-yl]oxy]butoxy]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Drug info:

PubChemData

Smile

COC1=C/C(=C\2/C=C(N=C(N2)N)C3=CC(=CC=C3)Cl)/C(=O)C=C1

DOS

IR

Vibrations