Geometry & MOs

Info

ID:

314871

PubChem CID:

126623853

Reduced:

BrSN3O5C14H16 (1)

Stoich.:

ABC3D5E14F16 (1)

Weight, g/mol:

555.239416

ΔHf, kcal/mol:

-167.31

Dipole, Da:

5.93

IP(EA), eV:

 -9.54(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2R,4R)-4-fluoro-2-[(1R)-1-hydroxy-2-(6-methylpyridin-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C(=N1)C(=O)NS(=O)(=O)C

DOS

IR

Vibrations