Geometry & MOs

Info

ID:	83984
PubChem CID:	49863061
Reduced:	ClSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	8.14
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(8-phenyl-7H-purin-6-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl)NC3CCNCC3

DOS

IR

Vibrations