Geometry & MOs

Info

ID:	58551
PubChem CID:	24702287
Reduced:	BrFON2H10C16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	230.01837
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	3.65
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methanesulfonamido)benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NC(=O)C3=C(C=CC(=C3)F)Br)N=CC=C2

DOS

IR

Vibrations