Geometry & MOs

Info

ID:

314735

PubChem CID:

126622913

Reduced:

BrO3N7C28H28 (1)

Stoich.:

AB3C7D28E28 (1)

Weight, g/mol:

536.148743

ΔHf, kcal/mol:

-17.3

Dipole, Da:

8.28

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N(C1)C(=O)CN2C3=C(C=C(C=C3)C4=CN=C(N=C4)C)C(=N2)C(=O)C)C(=O)NC5=C(C=CC(=N5)Br)C

DOS

IR

Vibrations