Geometry & MOs

Info

ID:

80190

PubChem CID:

49833460

Reduced:

ClON8H15C23 (1)

Stoich.:

ABC8D15E23 (1)

Weight, g/mol:

807.17507

ΔHf, kcal/mol:

183.62

Dipole, Da:

5.48

IP(EA), eV:

 -10.12(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=NN=C(O2)CCC3=NN=C(N3C4=C(C=NC=C4)Cl)C5=CC=NC=C5

DOS

IR

Vibrations