Geometry & MOs

Info

ID:	42192
PubChem CID:	8149289
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	5.65
IP(EA), eV:	-8.78(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-(3-acetamidoanilino)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(=CC=C3)NC(=O)C)C

DOS

IR

Vibrations