Geometry & MOs

Info

ID:	35317
PubChem CID:	7979679
Reduced:	ClN3O5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	406.055419
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	5.66
IP(EA), eV:	-9.54(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations