Geometry & MOs

Info

ID:	40859
PubChem CID:	8144858
Reduced:	N3O6C16H23 (1)
Stoich.:	A3B6C16D23 (1)
Weight, g/mol:	401.146979
ΔH_f, kcal/mol:	-226.31
Dipole, Da:	10.3
IP(EA), eV:	-9.41(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)N/N=C\[C@H]([C@@H]([C@@H]([C@@H](C)O)O)O)O

DOS

IR

Vibrations