Geometry & MOs

Info

ID:

325783

PubChem CID:

126684935

Reduced:

S2N10O10C59H72 (1)

Stoich.:

A2B10C10D59E72 (1)

Weight, g/mol:

380.340279

ΔHf, kcal/mol:

-292.83

Dipole, Da:

9.02

IP(EA), eV:

 -8.68(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-1-[3-methyl-2-(methylamino)butanoyl]pyrrolidin-2-yl]-2-pentyloctan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=C(CCC3=C(C=C1C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CN(CCN6C(=O)[C@H](C(C)C)NC(=O)OC)S(=O)(=O)C)C=C2)C7=CC=C(C=C7)C8=CN=C(N8)[C@@H]9CN(CCN9C(=O)[C@H](C(C)C)NC(=O)OC)S(=O)(=O)C

DOS

IR

Vibrations