Geometry & MOs

Info

ID:	192062
PubChem CID:	78221420
Reduced:	OSN3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	418.1549
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	5.75
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-5H-purin-7-ium-8-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4)C

DOS

IR

Vibrations