Geometry & MOs

Info

ID:	133923
PubChem CID:	51614286
Reduced:	SN3O3H27C28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	6.64
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

methyl-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C(=O)[C@@](NC3=O)(C)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations