Geometry & MOs

Info

ID:	297989
PubChem CID:	117644790
Reduced:	BrN2S2O5C22H23 (1)
Stoich.:	AB2C2D5E22F23 (1)
Weight, g/mol:	529.01925
ΔH_f, kcal/mol:	-138.68
Dipole, Da:	1.93
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-cyclopropyl-1-[3-(difluoromethoxy)phenyl]sulfonylspiro[2H-indole-3,4'-thiane]

Drug info:

PubChemData

Smile

C1CC1C2C3(CCS(=O)(=O)CC3)C4=C(N2S(=O)(=O)C5=CC=C(C=C5)C(=O)N)C=CC(=C4)Br

DOS

IR

Vibrations