Geometry & MOs

Info

ID:	26417
PubChem CID:	647156
Reduced:	N5C20H21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	407.108582
ΔH_f, kcal/mol:	96.44
Dipole, Da:	1.62
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations