Geometry & MOs

Info

ID:	214357
PubChem CID:	84975268
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	318.218152
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	4.81
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-butan-2-ylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)OC(C)C(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations