Geometry & MOs

Info

ID:	172980
PubChem CID:	75577690
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	341.129694
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	4.84
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]sulfanylbutanedioate

Drug info:

PubChemData

Smile

C1COCC2C1(N=C(SC2)N)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=N4)F

DOS

IR

Vibrations