Geometry & MOs

Info

ID:	77577
PubChem CID:	49655543
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	8.37
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)O)CNC(=O)CCN2C=CC3=C2C=CC=C3Cl

DOS

IR

Vibrations