Geometry & MOs

Info

ID:	149284
PubChem CID:	53788956
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	574.247915
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	1.86
IP(EA), eV:	-8.32(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-(4-cyclopropyloxyphenyl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-4-(7-fluoro-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(N(CC1=CC=CC=C1)C=C)(OCC)OCC

DOS

IR

Vibrations