Geometry & MOs

Info

ID:	149984
PubChem CID:	53789667
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	646.30543
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	2.6
IP(EA), eV:	-8.9(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N1CCCCC1O

DOS

IR

Vibrations