Geometry & MOs

Info

ID:	397416
PubChem CID:	135030189
Reduced:	S2F6O8H10C13 (1)
Stoich.:	A2B6C8D10E13 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-603.6
Dipole, Da:	5.69
IP(EA), eV:	-9.62(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,8S,9S)-9-phenyl-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=CC(=C(C=C2O1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C

DOS

IR

Vibrations