Geometry & MOs

Info

ID:	42121
PubChem CID:	8149211
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	334.158923
ΔH_f, kcal/mol:	-72.92
Dipole, Da:	1.72
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7R)-7-methyl-2-[(1S)-1-morpholin-4-ium-4-ylethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N4CCOCC4

DOS

IR

Vibrations