Geometry & MOs

Info

ID:

314577

PubChem CID:

126622253

Reduced:

ClPF2N5O7H31C35 (1)

Stoich.:

ABC2D5E7F31G35 (1)

Weight, g/mol:

729.17106

ΔHf, kcal/mol:

-329.22

Dipole, Da:

5.8

IP(EA), eV:

 -9.02(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)N4C[C@@H](CC4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl)F)C(=O)C)OCP(=O)(O)O

DOS

IR

Vibrations