Geometry & MOs

Info

ID:	397538
PubChem CID:	135030359
Reduced:	FNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	416.896635
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	0.97
IP(EA), eV:	-9.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1aS,7bR)-7a-methyl-5,7-bis(trichloromethyl)-2,3,3a,4,5,7b-hexahydro-1aH-oxireno[2,3-h]isochromen-7-olate

Drug info:

PubChemData

Smile

C1CN(C2([C@]1(C=O)F)COC2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations