Geometry & MOs

Info

ID:	61726
PubChem CID:	26712202
Reduced:	SCl2N2O3C18H20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	462.168539
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	8.21
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations