Geometry & MOs

Info

ID:

59042

PubChem CID:

24770550

Reduced:

O3N6C11H16 (1)

Stoich.:

A3B6C11D16 (1)

Weight, g/mol:

638.214126

ΔHf, kcal/mol:

-66.6

Dipole, Da:

2.9

IP(EA), eV:

 -9.33(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H](O[C@H]([C@@H]3O)CO)CN)N

DOS

IR

Vibrations