Geometry & MOs

Info

ID:	42210
PubChem CID:	8149310
Reduced:	SN3O4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-152.69
Dipole, Da:	17.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787208
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2)C

DOS

IR

Vibrations