Geometry & MOs

Info

ID:	282677
PubChem CID:	103935943
Reduced:	SN2O2C9H14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	283.11392
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	3.89
IP(EA), eV:	-9.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-5-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NS(=O)(=O)N

DOS

IR

Vibrations