Geometry & MOs

Info

ID:

150781

PubChem CID:

53790477

Reduced:

NO3C11H14 (2)

Stoich.:

AB3C11D14 (2)

Weight, g/mol:

676.35238

ΔHf, kcal/mol:

-220.01

Dipole, Da:

2.84

IP(EA), eV:

 -9.72(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[3-(2-methoxyphenyl)propyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1CCC(CC1)OC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

DOS

IR

Vibrations