Geometry & MOs

Info

ID:	58848
PubChem CID:	24714958
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	15.89
Dipole, Da:	1.59
IP(EA), eV:	-8.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-oxo-2-(propylaminomethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CSC3=C2C(=O)NC(=N3)CNC

DOS

IR

Vibrations