Geometry & MOs

Info

ID:	165102
PubChem CID:	74500483
Reduced:	SF2N2O2C21H28 (1)
Stoich.:	AB2C2D2E21F28 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	27.47
IP(EA), eV:	-3.96(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-5-[(4-methylsulfanylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CC3=C(C=C(C=C3)F)F)O

DOS

IR

Vibrations