Geometry & MOs

Info

ID:	58868
PubChem CID:	24714999
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-144.06
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)CC1=NC2=C(C(=C(S2)C(=O)OCCOC)C)C(=O)N1

DOS

IR

Vibrations