Geometry & MOs

Info

ID:	147303
PubChem CID:	53786958
Reduced:	N2O3C9H22 (1)
Stoich.:	A2B3C9D22 (1)
Weight, g/mol:	612.244721
ΔH_f, kcal/mol:	-151.44
Dipole, Da:	2.5
IP(EA), eV:	-9.19(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-1-[2-(2,6-diethyl-4-fluoroanilino)-2-oxoethyl]-4-(6-fluoro-1,3-benzodioxol-5-yl)-2-(2-fluoro-4-propoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC(N(C)CCO)O)CCO

DOS

IR

Vibrations