Geometry & MOs

Info

ID:	262816
PubChem CID:	103319949
Reduced:	OSCl2N2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	318.059362
ΔH_f, kcal/mol:	37.86
Dipole, Da:	4.04
IP(EA), eV:	-9.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butan-2-ylphenoxy)-2-chlorothieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations