Geometry & MOs

Info

ID:	138025
PubChem CID:	52301427
Reduced:	S2O3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	305.197751
ΔH_f, kcal/mol:	27.59
Dipole, Da:	8.86
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methyl-5-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)[C@@H](C#N)C2=NC(=CS2)C3=CC=CC=N3)S(=O)(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations