Geometry & MOs

Info

ID:	323344
PubChem CID:	126674418
Reduced:	FNO2C23H28 (1)
Stoich.:	ABC2D23E28 (1)
Weight, g/mol:	486.92754
ΔH_f, kcal/mol:	-122.84
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,7aR)-N,N-bis(4-bromophenyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CC[C@H](C3=C(C=C2)F)N)C)OCC4CCOCC4

DOS

IR

Vibrations