Geometry & MOs

Info

ID:	407019
PubChem CID:	135079149
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	364.113919
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	4.8
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-benzyl-2,2,3-trimethylimidazolidin-1-ium-4-one;hexafluorophosphate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=O)C(=C(N2)S)C(=O)C

DOS

IR

Vibrations