Geometry & MOs

Info

ID:	41768
PubChem CID:	8147059
Reduced:	ClFSO4H12C19 (1)
Stoich.:	ABCD4E12F19 (1)
Weight, g/mol:	382.195309
ΔH_f, kcal/mol:	-132.3
Dipole, Da:	5.96
IP(EA), eV:	-9.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations