Geometry & MOs

Info

ID:

320854

PubChem CID:

126663876

Reduced:

FO3C16H17 (1)

Stoich.:

AB3C16D17 (1)

Weight, g/mol:

573.224178

ΔHf, kcal/mol:

-110.69

Dipole, Da:

5.45

IP(EA), eV:

-8.9(-0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-7-chloro-4-(dimethylamino)-8-[[(6S)-2,6-dimethylpiperidin-1-yl]methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/C=C\C(=C(/C)\C(=O)OC1=CC=CC=C1)\OC)\F

DOS

IR

Vibrations