Geometry & MOs

Info

ID:	55973
PubChem CID:	17398021
Reduced:	ClSN2O3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	373.155018
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	3.63
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCCN2C(=O)OC(=N2)C3=CC=CS3)Cl

DOS

IR

Vibrations