Geometry & MOs

Info

ID:

150703

PubChem CID:

53790398

Reduced:

N5O9C37H37 (1)

Stoich.:

A5B9C37D37 (1)

Weight, g/mol:

552.331171

ΔHf, kcal/mol:

-101.56

Dipole, Da:

6.67

IP(EA), eV:

 -8.68(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]hexanoate

Drug info:

PubChemData

Smile

CCCCON(C1=C(C=CC(=C1[N+](=O)[O-])C(=O)C2(C(N=NN2CC3=CC=C(C=C3)OC)C(=O)OCC)O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations