Geometry & MOs

Info

ID:

320862

PubChem CID:

126663925

Reduced:

INO2C18H28 (1)

Stoich.:

ABC2D18E28 (1)

Weight, g/mol:

585.305015

ΔHf, kcal/mol:

-90.35

Dipole, Da:

4.02

IP(EA), eV:

 -9.87(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-4-(dimethylamino)-8-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,3,10,11-tetrahydroxy-7,12a-dimethoxy-12-oxo-1,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1(C2CC3CC(C2)CC1C3)OC(=O)C(C)(C4CN4)I

DOS

IR

Vibrations