Geometry & MOs

Info

ID:	262851
PubChem CID:	103322998
Reduced:	ClON2S2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	288.015783
ΔH_f, kcal/mol:	34.49
Dipole, Da:	4.28
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N=C(N=C2SC3=CC=CC=C3OC)Cl

DOS

IR

Vibrations