Geometry & MOs

Info

ID:	290810
PubChem CID:	111123389
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	332.06532
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	4.45
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethoxy]ethanol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCCOCCO

DOS

IR

Vibrations