Geometry & MOs

Info

ID:	135922
PubChem CID:	51957047
Reduced:	FN2S2O6C14H14 (1)
Stoich.:	AB2C2D6E14F14 (1)
Weight, g/mol:	440.96753
ΔH_f, kcal/mol:	-188.61
Dipole, Da:	7.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083922
Charge, e:	-1

Chem-info

IUPAC name:

(4-bromo-2-chloro-6-methylphenyl)-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=C(C=CC(=C2)S(=O)(=O)N)F)OC

DOS

IR

Vibrations