Geometry & MOs

Info

ID:

80021

PubChem CID:

49832259

Reduced:

FSN4O6C22H27 (1)

Stoich.:

ABC4D6E22F27 (1)

Weight, g/mol:

705.177041

ΔHf, kcal/mol:

-220.89

Dipole, Da:

4.17

IP(EA), eV:

 -9.84(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[1-[[1-[4-(1H-pyrazol-4-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)COC3=C(C=C(C=C3)S(=O)(=O)CCO)F)C#N

DOS

IR

Vibrations