Geometry & MOs

Info

ID:

47356

PubChem CID:

10531837

Reduced:

N7O12C23H47 (1)

Stoich.:

A7B12C23D47 (1)

Weight, g/mol:

613.174465

ΔHf, kcal/mol:

-544.02

Dipole, Da:

2.65

IP(EA), eV:

 -9.54(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-3-[7-chloro-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations