Geometry & MOs

Info

ID:	182361
PubChem CID:	76880681
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	270.013285
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	2.11
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-oxo-2-sulfanylidene-4aH-thieno[3,2-d]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1)C(=O)NC2=CC=C(C=C2)C#CCO

DOS

IR

Vibrations