Geometry & MOs

Info

ID:	291483
PubChem CID:	112726655
Reduced:	SO3N4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	281.983003
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	3.81
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)SC2=NNC(=N2)N

DOS

IR

Vibrations