Geometry & MOs

Info

ID:	31499
PubChem CID:	855792
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	307.000467
ΔH_f, kcal/mol:	13.84
Dipole, Da:	4.09
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-7-ethylsulfanyl-[1,2]thiazolo[4,5-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)NC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3O

DOS

IR

Vibrations