Geometry & MOs

Info

ID:	262815
PubChem CID:	103319938
Reduced:	OSN2Cl3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	309.973439
ΔH_f, kcal/mol:	24.45
Dipole, Da:	3.63
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-chloro-2-methylphenoxy)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations