Geometry & MOs

Info

ID:

323435

PubChem CID:

126674807

Reduced:

ON6C9H12 (1)

Stoich.:

AB6C9D12 (1)

Weight, g/mol:

715.373883

ΔHf, kcal/mol:

27.71

Dipole, Da:

2.81

IP(EA), eV:

-8.25(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,6R)-3-acetamido-5,6-dihydroxy-7-(hydroxymethyl)oxepan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/C1=CN=C(C(=N1)C(=O)N)N

DOS

IR

Vibrations