Geometry & MOs

Info

ID:	58869
PubChem CID:	24715000
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	6.39
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1

DOS

IR

Vibrations