Geometry & MOs

Info

ID:

314826

PubChem CID:

126623538

Reduced:

FPN5O6C24H27 (1)

Stoich.:

ABC5D6E24F27 (1)

Weight, g/mol:

650.201314

ΔHf, kcal/mol:

-297.25

Dipole, Da:

7.26

IP(EA), eV:

 -9.15(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)pyridin-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)P(=O)(O)O)C(=O)N)F

DOS

IR

Vibrations