Geometry & MOs

Info

ID:	123452
PubChem CID:	50848327
Reduced:	ClFSN5O5C17H17 (1)
Stoich.:	ABCD5E5F17G17 (1)
Weight, g/mol:	409.105605
ΔH_f, kcal/mol:	-198.27
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations