Geometry & MOs

Info

ID:

169552

PubChem CID:

75119849

Reduced:

ClSO3N6C25H27 (1)

Stoich.:

ABC3D6E25F27 (1)

Weight, g/mol:

494.207782

ΔHf, kcal/mol:

-50.83

Dipole, Da:

1.99

IP(EA), eV:

 -9.13(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations