Geometry & MOs

Info

ID:	14184
PubChem CID:	406263
Reduced:	N2O2S3C10H10 (1)
Stoich.:	A2B2C3D10E10 (1)
Weight, g/mol:	285.990441
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	1.89
IP(EA), eV:	-9.06(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2,4-bis(sulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)S)S)C

DOS

IR

Vibrations