Geometry & MOs

Info

ID:	45557
PubChem CID:	10514848
Reduced:	SO2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	2.32
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1SC2CCCCC2

DOS

IR

Vibrations