Geometry & MOs

Info

ID:

80045

PubChem CID:

49832423

Reduced:

FCl2O3N9H30C37 (1)

Stoich.:

AB2C3D9E30F37 (1)

Weight, g/mol:

734.17237

ΔHf, kcal/mol:

53.17

Dipole, Da:

14.26

IP(EA), eV:

 -9.14(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[[1-(5-pyridin-3-ylpyridin-2-yl)cyclopropyl]carbamoyl]cyclopropyl]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=CN(N=C6)C)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations