Geometry & MOs

Info

ID:

328589

PubChem CID:

126725812

Reduced:

NOC13H23 (1)

Stoich.:

ABC13D23 (1)

Weight, g/mol:

695.25779

ΔHf, kcal/mol:

-50.69

Dipole, Da:

1.61

IP(EA), eV:

 -8.46(1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2E)-cyclooct-2-en-1-yl] N-[(2R,3R,4R)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=C)O[C@H]\1CCCCC/C=C1

DOS

IR

Vibrations