Geometry & MOs

Info

ID:

297793

PubChem CID:

117631056

Reduced:

SF2N3O3H19C22 (1)

Stoich.:

AB2C3D3E19F22 (1)

Weight, g/mol:

669.2162

ΔHf, kcal/mol:

-141.63

Dipole, Da:

4.54

IP(EA), eV:

 -8.39(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[3-(3-bromophenyl)-2-oxopropyl]carbamoyl]-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CN1C=CC2=C(C1=O)NC=C2C3=C(C=CC(=C3)CS(=O)(=O)C)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations