Geometry & MOs

Info

ID:	60672
PubChem CID:	26697389
Reduced:	NF2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	324.130777
ΔH_f, kcal/mol:	-213.65
Dipole, Da:	5.11
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)NC2CCCC2)OC(F)F

DOS

IR

Vibrations