Geometry & MOs

Info

ID:

49852

PubChem CID:

11533957

Reduced:

N6O10C21H44 (1)

Stoich.:

A6B10C21D44 (1)

Weight, g/mol:

540.311184

ΔHf, kcal/mol:

-465.51

Dipole, Da:

6.3

IP(EA), eV:

 -9.61(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[[1-[[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)O)OC[C@@H](CN)N

DOS

IR

Vibrations