Geometry & MOs

Info

ID:

47394

PubChem CID:

10532279

Reduced:

O10C12H21 (2)

Stoich.:

A10B12C21 (2)

Weight, g/mol:

651.269299

ΔHf, kcal/mol:

-904.01

Dipole, Da:

3.93

IP(EA), eV:

 -10.33(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[[2-[2-[2-(N-methylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamoylamino]phenyl]acetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

DOS

IR

Vibrations