Geometry & MOs

Info

ID:	42577
PubChem CID:	8149729
Reduced:	SN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-163.31
Dipole, Da:	4.38
IP(EA), eV:	-8.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-(3,4-dimethoxyanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)NC3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations