Geometry & MOs

Info

ID:	79516
PubChem CID:	49815676
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	5.33
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3CCC4=CC=CC=C34

DOS

IR

Vibrations