Geometry & MOs

Info

ID:	424657
PubChem CID:	135123530
Reduced:	F3O3N4C35H35 (1)
Stoich.:	A3B3C4D35E35 (1)
Weight, g/mol:	442.086639
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	5.63
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-3-pyrazol-1-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C6=CC(=NN6C7=CC=CC=C7)C(F)(F)F

DOS

IR

Vibrations