Geometry & MOs

Info

ID:

80318

PubChem CID:

49834032

Reduced:

FO4N5C22H24 (1)

Stoich.:

AB4C5D22E24 (1)

Weight, g/mol:

784.17032

ΔHf, kcal/mol:

-106.62

Dipole, Da:

1.61

IP(EA), eV:

 -9.49(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-N-[(2S)-1-[[1-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]cyclopropyl]amino]-1-oxopropan-2-yl]-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)C2CC(CCN2C(=O)O)N3C(=C(C=N3)COC4=C(C=C(C=C4)C(=O)N)F)C#N

DOS

IR

Vibrations