Geometry & MOs

Info

ID:	262852
PubChem CID:	103323087
Reduced:	ClON2S2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	359.939859
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	2.72
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N=C(N=C2SC(C)CCO)Cl

DOS

IR

Vibrations