Geometry & MOs

Info

ID:	173685
PubChem CID:	75669054
Reduced:	ClSN4O5C18H19 (1)
Stoich.:	ABC4D5E18F19 (1)
Weight, g/mol:	293.165388
ΔH_f, kcal/mol:	-175.45
Dipole, Da:	5.41
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyridin-1-ium-2-yl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(N2)O)S(=O)(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations