Geometry & MOs

Info

ID:	155990
PubChem CID:	56368633
Reduced:	BrClON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	484.123898
ΔH_f, kcal/mol:	13.81
Dipole, Da:	2.14
IP(EA), eV:	-8.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-N-[2-oxo-2-[3-(pyridin-2-ylsulfanylmethyl)anilino]ethyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations