Geometry & MOs

Info

ID:	156015
PubChem CID:	56368778
Reduced:	ClON3H8C10 (2)
Stoich.:	ABC3D8E10 (2)
Weight, g/mol:	447.15764
ΔH_f, kcal/mol:	27.85
Dipole, Da:	2.13
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-N-[2-oxo-2-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CN3C=C(C=N3)NC(=O)CNC(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations