Geometry & MOs

Info

ID:

179232

PubChem CID:

76453784

Reduced:

ClFN4O7H26C27 (1)

Stoich.:

ABC4D7E26F27 (1)

Weight, g/mol:

790.234945

ΔHf, kcal/mol:

-271.8

Dipole, Da:

8.1

IP(EA), eV:

 -8.32(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-benzyl-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]methyl N-phenylcarbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CN2C1=NC=C2C3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)N(C)C.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations