Geometry & MOs

Info

ID:

191269

PubChem CID:

78123951

Reduced:

Cl2N9O17H59C68 (1)

Stoich.:

A2B9C17D59E68 (1)

Weight, g/mol:

520.180543

ΔHf, kcal/mol:

-254.07

Dipole, Da:

20.01

IP(EA), eV:

 -7.88(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-hydroxy-6-[2-oxo-2-[(1-phenyltriazol-4-yl)methylamino]ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCNC1=CC=C(C=C1)NC(=O)C2C3=C(C(=CC(=C3)O)O)C4=C(C=CC(=C4)C5C(=O)NC(C(C6=CC(=C(C=C6)OC7=CC8=CC(=C7O)OC9=C(C=C(CC1C(=O)NC(C3=CC(=CC(=C3)OC3=C(C=CC(=C3)C(C(=O)N1)N)O)O)C(=O)NC8C(=O)N5)C=C9)Cl)Cl)O)C(=O)N2)O

DOS

IR

Vibrations