Geometry & MOs

Info

ID:	158054
PubChem CID:	56459444
Reduced:	ClO3N5C26H26 (1)
Stoich.:	AB3C5D26E26 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-54.34
Dipole, Da:	10.11
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(tert-butylsulfamoyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4CCC5(CC4)C(=O)NC(=O)N5

DOS

IR

Vibrations