Geometry & MOs

Info

ID:	155769
PubChem CID:	56367467
Reduced:	ClO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	486.204925
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	1.14
IP(EA), eV:	-9.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)NCCC(=O)NCC3=CC=NC=C3)Cl

DOS

IR

Vibrations