Geometry & MOs

Info

ID:	42128
PubChem CID:	8149219
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	352.133102
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	4.19
IP(EA), eV:	-8.57(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 5-methyl-2-[(1R)-1-morpholin-4-ium-4-ylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)[C@@H]3CS(=O)(=O)C[C@@H]3O

DOS

IR

Vibrations