Geometry & MOs

Info

ID:

314881

PubChem CID:

126623888

Reduced:

BrO3N7C28H28 (1)

Stoich.:

AB3C7D28E28 (1)

Weight, g/mol:

596.07538

ΔHf, kcal/mol:

-15.33

Dipole, Da:

5.04

IP(EA), eV:

 -9.15(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCCC(C4)C(=O)NCC5=NC(=CC=C5)Br

DOS

IR

Vibrations