Geometry & MOs

Info

ID:	262848
PubChem CID:	103322828
Reduced:	ClOSN5H10C12 (1)
Stoich.:	ABCD5E10F12 (1)
Weight, g/mol:	348.956888
ΔH_f, kcal/mol:	55.92
Dipole, Da:	4.97
IP(EA), eV:	-9.43(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylsulfanyl)-2-chloro-6-methylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations