Geometry & MOs

Info

ID:

80374

PubChem CID:

49834209

Reduced:

F3O3N4C21H21 (1)

Stoich.:

A3B3C4D21E21 (1)

Weight, g/mol:

724.162868

ΔHf, kcal/mol:

-151.96

Dipole, Da:

5.92

IP(EA), eV:

 -9.76(-0.99)

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-(1H-pyrazol-4-yl)pyrimidin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)C2CC(CCN2C(=O)O)N3C(=C(C=N3)COC4=C(C=CC(=C4F)F)F)C#N

DOS

IR

Vibrations