Geometry & MOs

Info

ID:	136734
PubChem CID:	52090916
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	7.53
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations