Geometry & MOs

Info

ID:	27590
PubChem CID:	822403
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	268.032479
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	4.67
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S)-5-(benzenesulfonyl)-7-chlorocyclohepta-1,3-diene

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C

DOS

IR

Vibrations