Geometry & MOs

Info

ID:	58850
PubChem CID:	24714965
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	6.28
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-2-(methylaminomethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)NC(=N2)CNCCCOC)C(=O)OC

DOS

IR

Vibrations