Geometry & MOs

Info

ID:	328723
PubChem CID:	126726895
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	400.13176
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	3.79
IP(EA), eV:	-9.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-methyl-4-[6-[(3-methylphenyl)methylamino]purin-9-yl]thietane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)CO)NC(=O)CC#N

DOS

IR

Vibrations