Geometry & MOs

Info

ID:	297751
PubChem CID:	117629078
Reduced:	FS2O4N5C20H20 (1)
Stoich.:	AB2C4D5E20F20 (1)
Weight, g/mol:	261.041738
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	5.21
IP(EA), eV:	-9.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)-3,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1CCCN)N2C3=CC(=C(C=C3OC2=O)S(=O)(=O)NC4=NC=NS4)F

DOS

IR

Vibrations