Geometry & MOs

Info

ID:

314916

PubChem CID:

126623963

Reduced:

BrFSO3N6H24C26 (1)

Stoich.:

ABCD3E6F24G26 (1)

Weight, g/mol:

595.10012

ΔHf, kcal/mol:

-36.96

Dipole, Da:

8.44

IP(EA), eV:

 -9.06(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]piperidin-3-yl]methyl]-5-bromo-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4CS(=O)C5=NC(=CC=C5)Br)F

DOS

IR

Vibrations