Geometry & MOs

Info

ID:	192927
PubChem CID:	78325767
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	2.38
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1,4-dihydropurin-6-one

Drug info:

PubChemData

Smile

CCC(=C1C(=O)NC(=NC1=O)SCC(=O)N2CCCCCC2)C

DOS

IR

Vibrations