Geometry & MOs

Info

ID:	322689
PubChem CID:	126670837
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	603.15935
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	3.04
IP(EA), eV:	-8.7(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@H](N1C)CC2O

DOS

IR

Vibrations