Geometry & MOs

Info

ID:	303736
PubChem CID:	124490114
Reduced:	ClNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	268.069536
ΔH_f, kcal/mol:	4.36
Dipole, Da:	0.73
IP(EA), eV:	-8.6(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5S,6R)-5-hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate

Drug info:

PubChemData

Smile

C1[C@@H](O[C@H](N1C2=CC=CC=C2)C3=CC=CC=C3)CCl

DOS

IR

Vibrations