Geometry & MOs

Info

ID:	161047
PubChem CID:	57390621
Reduced:	ClOSN3C16H26 (1)
Stoich.:	ABCD3E16F26 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	8.43
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,3-dimethylpiperidin-1-yl)ethylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CCNC2=NC3=C(S2)C(=O)CCC3)C.Cl

DOS

IR

Vibrations