Geometry & MOs

Info

ID:

221542

PubChem CID:

85279333

Reduced:

SN8O8C54H84 (1)

Stoich.:

AB8C8D54E84 (1)

Weight, g/mol:

1043.246215

ΔHf, kcal/mol:

-347.97

Dipole, Da:

10.65

IP(EA), eV:

 -8.16(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,4,5-triacetyloxy-6-[2-chloro-4-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxymethyl]phenoxy]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)N3CCCC3C4=NC=CS4)N(C)C(=O)C(C)N(C)C(=O)C(C)CCCCC=C

DOS

IR

Vibrations