Geometry & MOs

Info

ID:	435373
PubChem CID:	135191314
Reduced:	SN2O5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	338.160357
ΔH_f, kcal/mol:	-108.45
Dipole, Da:	5.06
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[[(Z)-2-(methylideneamino)ethenyl]amino]methyl]-9-[(6-methylpyridin-3-yl)methyl]-7H-purin-8-one

Drug info:

PubChemData

Smile

C1C(C=C(C=C1O)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC=CC=C4)O

DOS

IR

Vibrations