Geometry & MOs

Info

ID:	147351
PubChem CID:	53787007
Reduced:	O2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	657.321414
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	2.33
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-2-[2-(1-hydroxyisoindol-2-yl)ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)O)C3=CC=CC=C3O

DOS

IR

Vibrations