Geometry & MOs

Info

ID:

17118

PubChem CID:

484605

Reduced:

NO14C71H107 (1)

Stoich.:

AB14C71D107 (1)

Weight, g/mol:

1197.769157

ΔHf, kcal/mol:

-679.64

Dipole, Da:

7.49

IP(EA), eV:

 -8.91(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-octadecoxy-4-(octadecoxymethyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC1=C(C=C(C=C1)C(=O)OCC(=O)[C@]2(C[C@@H](C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)N)O)OCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations