Geometry & MOs

Info

ID:	242885
PubChem CID:	99213605
Reduced:	BrClNO2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-2-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CN(C1=C(C=C(C=C1)Br)Cl)C(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations