Geometry & MOs

Info

ID:	31782
PubChem CID:	3718115
Reduced:	SF2N2O2C18H20 (1)
Stoich.:	AB2C2D2E18F20 (1)
Weight, g/mol:	448.9755
ΔH_f, kcal/mol:	-134.77
Dipole, Da:	4.7
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methoxy-N-(2-phenylsulfanylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)C

DOS

IR

Vibrations