Geometry & MOs

Info

ID:	314734
PubChem CID:	126622912
Reduced:	BrN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	589.1437
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	8.11
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, 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-bromo-3-methylpyridin-2-yl)-4-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CC(N(C1C2)C(=O)O)C(=O)NC3=NC(=CC(=C3)OC)Br

DOS

IR

Vibrations