Geometry & MOs

Info

ID:

375650

PubChem CID:

134220358

Reduced:

ClO2N3H18C20 (1)

Stoich.:

AB2C3D18E20 (1)

Weight, g/mol:

535.199775

ΔHf, kcal/mol:

-17.24

Dipole, Da:

7.32

IP(EA), eV:

 -9.27(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[(1R)-1-[2-chloro-3-fluoro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=NC3=CC=CC(=C32)C4=CC(=CC=C4)Cl)C(=O)O

DOS

IR

Vibrations