Geometry & MOs

Info

ID:	56518
PubChem CID:	17436024
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	336.140868
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	7.24
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC(=O)NC2CCCCC2)CC3=CC=CC=C3

DOS

IR

Vibrations