Geometry & MOs

Info

ID:

318981

PubChem CID:

126654042

Reduced:

FO3N6H31C35 (1)

Stoich.:

AB3C6D31E35 (1)

Weight, g/mol:

574.10765

ΔHf, kcal/mol:

-19.57

Dipole, Da:

10.36

IP(EA), eV:

 -8.84(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)C4C[C@@H](C[C@H]4C(=O)NC5=CC=CC6=C5CN(C6)C7=CC=CC=N7)F

DOS

IR

Vibrations