Geometry & MOs

Info

ID:	164734
PubChem CID:	74444197
Reduced:	SN6O6C20H27 (1)
Stoich.:	AB6C6D20E27 (1)
Weight, g/mol:	383.190558
ΔH_f, kcal/mol:	-177.82
Dipole, Da:	8.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.862754
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(2-piperidin-1-ylphenyl)methyl]-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC

DOS

IR

Vibrations