Geometry & MOs

Info

ID:	323348
PubChem CID:	126674432
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	365.089721
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	2.31
IP(EA), eV:	-8.76(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(4-fluorophenyl)-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=CC=C2)N)C)OC4CCOCC4

DOS

IR

Vibrations