Geometry & MOs

Info

ID:	42544
PubChem CID:	8149686
Reduced:	ClOS2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	348.138188
ΔH_f, kcal/mol:	38.24
Dipole, Da:	3.26
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations