Geometry & MOs

Info

ID:	402968
PubChem CID:	135058110
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	406.01981
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	2.74
IP(EA), eV:	-8.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S,2S)-2-bromocyclohexyl]oxyethyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=CO2)O)C

DOS

IR

Vibrations