Geometry & MOs

Info

ID:	42856
PubChem CID:	8150104
Reduced:	SN3O5C19H26 (1)
Stoich.:	AB3C5D19E26 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-199.08
Dipole, Da:	18.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785285
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-(4-methoxycarbonylpiperidin-1-yl)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)[NH+]3CCC(CC3)C(=O)OC)C

DOS

IR

Vibrations