Geometry & MOs

Info

ID:	178059
PubChem CID:	76270691
Reduced:	FNO6C22H26 (1)
Stoich.:	ABC6D22E26 (1)
Weight, g/mol:	422.11611
ΔH_f, kcal/mol:	-263.25
Dipole, Da:	2.51
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(6-pyrazol-1-ylpyridin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations