Geometry & MOs

Info

ID:	308133
PubChem CID:	125317098
Reduced:	ClN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	283.043378
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.84
IP(EA), eV:	-10.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-2-chloro-3-(2-nitrophenyl)sulfanylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCN1C(=O)CC(=NC1=O)Cl

DOS

IR

Vibrations