Geometry & MOs

Info

ID:	36704
PubChem CID:	8011577
Reduced:	FO2N5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	417.099457
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	7.95
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=CC=C4F

DOS

IR

Vibrations