Geometry & MOs

Info

ID:

80320

PubChem CID:

49834037

Reduced:

FCl2O4N7H34C42 (1)

Stoich.:

AB2C4D7E34F42 (1)

Weight, g/mol:

791.163757

ΔHf, kcal/mol:

10.45

Dipole, Da:

3.68

IP(EA), eV:

 -9.32(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[1-[[1-[5-(6-oxo-1H-pyridin-3-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]-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=C5)C6=CC=C(C=C6)C7(CC7)O)C8=CC(=C(C(=C8)Cl)F)Cl)CC9=CC=C(C=C9)C#N

DOS

IR

Vibrations