Geometry & MOs

Info

ID:

149467

PubChem CID:

53789140

Reduced:

NC11H12 (2)

Stoich.:

AB11C12 (2)

Weight, g/mol:

659.266522

ΔHf, kcal/mol:

64.65

Dipole, Da:

0.68

IP(EA), eV:

 -8.66(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-propylamino]ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H](N1)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations