Geometry & MOs

Info

ID:	33984
PubChem CID:	7889127
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	318.013285
ΔH_f, kcal/mol:	50.66
Dipole, Da:	2.11
IP(EA), eV:	-8.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations