Geometry & MOs

Info

ID:	214354
PubChem CID:	84975263
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	352.202502
ΔH_f, kcal/mol:	-147.92
Dipole, Da:	3.52
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(benzhydrylamino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N

DOS

IR

Vibrations