Geometry & MOs

Info

ID:	42076
PubChem CID:	8149153
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	8.81
Dipole, Da:	2.66
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-[(1R)-1-(naphthalen-2-ylamino)ethyl]-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=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations