Geometry & MOs

Info

ID:	225550
PubChem CID:	85852868
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	274.033147
ΔH_f, kcal/mol:	-178.84
Dipole, Da:	3.07
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(1-phenylethyl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1SCC(=O)O

DOS

IR

Vibrations