Geometry & MOs

Info

ID:	42109
PubChem CID:	8149197
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	4.0
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations