Geometry & MOs

Info

ID:	148831
PubChem CID:	53788500
Reduced:	O5C25H38 (1)
Stoich.:	A5B25C38 (1)
Weight, g/mol:	562.247915
ΔH_f, kcal/mol:	-254.7
Dipole, Da:	1.72
IP(EA), eV:	-8.66(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C1CCC2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3)O)O)C)COC(=O)C(C)(C)O

DOS

IR

Vibrations