Geometry & MOs

Info

ID:	140686
PubChem CID:	52741224
Reduced:	OS2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	378.16738
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	4.94
IP(EA), eV:	-8.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C[C@@H](C)NC(=O)CSC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations