Geometry & MOs

Info

ID:	42648
PubChem CID:	8149814
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	5.01
IP(EA), eV:	-8.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCC(CC4)C(=O)N)C

DOS

IR

Vibrations