Geometry & MOs

Info

ID:

309465

PubChem CID:

126546436

Reduced:

ClO6C26H33 (1)

Stoich.:

AB6C26D33 (1)

Weight, g/mol:

687.338047

ΔHf, kcal/mol:

-261.77

Dipole, Da:

1.87

IP(EA), eV:

 -9.07(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2-amino-3-anilino-3-oxopropyl]phenyl] N-[4-oxo-4-[2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethylamino]butyl]carbamate

Drug info:

PubChemData

Smile

COC1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)C4CCCCC4

DOS

IR

Vibrations