Geometry & MOs

Info

ID:	58866
PubChem CID:	24714996
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	4.12
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)CC1=NC2=C(C(=CS2)C3=CC=CC=C3OC)C(=O)N1

DOS

IR

Vibrations