Geometry & MOs

Info

ID:	301848
PubChem CID:	123097740
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	413.142757
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	5.97
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylcyclohexyl) 2-[2-(2-chloroanilino)-2-oxoethyl]sulfinylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CS(=O)CC(=O)NCC2=CC=CO2)Cl

DOS

IR

Vibrations