Geometry & MOs

Info

ID:	23395
PubChem CID:	603338
Reduced:	S2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	239.05509
ΔH_f, kcal/mol:	46.02
Dipole, Da:	1.47
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butylsulfanyl-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCCCSC1=NC(=NC2=C1N=CS2)C

DOS

IR

Vibrations