Geometry & MOs

Info

ID:

47170

PubChem CID:

10530169

Reduced:

ClO8C27H39 (1)

Stoich.:

AB8C27D39 (1)

Weight, g/mol:

527.191102

ΔHf, kcal/mol:

-370.5

Dipole, Da:

5.23

IP(EA), eV:

 -9.83(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-chloro-5-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C[C@H]([C@]([C@@H]1OC(=O)C)(C)O)Cl)C(=C)[C@@H](C[C@H](C(=C)C)O)OC(=O)/C(=C\C)/C

DOS

IR

Vibrations