Geometry & MOs

Info

ID:	27920
PubChem CID:	824156
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	4.58
IP(EA), eV:	-9.48(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,4S,5S,8S)-4,8-dihydroxy-6-thiabicyclo[3.2.1]octan-1-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C1)C2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations