Geometry & MOs

Info

ID:

80375

PubChem CID:

49834214

Reduced:

FCl2O3N10H27C35 (1)

Stoich.:

AB2C3D10E27F35 (1)

Weight, g/mol:

796.190306

ΔHf, kcal/mol:

67.16

Dipole, Da:

9.05

IP(EA), eV:

 -9.39(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=N5)C6=CNN=C6)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations