Geometry & MOs

Info

ID:	205106
PubChem CID:	80056166
Reduced:	NSCl2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	9.04
IP(EA), eV:	-8.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfonylcyclohexyl)-2,3-dihydro-1H-inden-5-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations