Geometry & MOs

Info

ID:	61686
PubChem CID:	26711782
Reduced:	Cl2N2S2O3C18H26 (1)
Stoich.:	A2B2C2D3E18F26 (1)
Weight, g/mol:	436.105741
ΔH_f, kcal/mol:	-140.14
Dipole, Da:	3.9
IP(EA), eV:	-8.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-cycloheptyl-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCCCC1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations