Geometry & MOs

Info

ID:	431573
PubChem CID:	135171661
Reduced:	ClO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	564.05907
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	8.05
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(N=C3)Cl

DOS

IR

Vibrations