Geometry & MOs

Info

ID:	236341
PubChem CID:	92712425
Reduced:	FSN2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	4.21
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-4-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](CCC2=O)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations