Geometry & MOs

Info

ID:	42124
PubChem CID:	8149215
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	334.158923
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	4.96
IP(EA), eV:	-9.06(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7S)-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

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

DOS

IR

Vibrations