Geometry & MOs

Info

ID:	424658
PubChem CID:	135123533
Reduced:	ClSO3N4H19C21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	396.103397
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	4.82
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,4-difluorophenyl)pyrazol-4-yl]-7-nitrospiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=C(C(=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)N5C=CC=N5)Cl)NC2=O

DOS

IR

Vibrations