Geometry & MOs

Info

ID:

59683

PubChem CID:

24893368

Reduced:

N3O10C42H49 (1)

Stoich.:

A3B10C42D49 (1)

Weight, g/mol:

509.288971

ΔHf, kcal/mol:

-346.8

Dipole, Da:

3.64

IP(EA), eV:

 -8.58(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] pent-4-enoate

Drug info:

PubChemData

Smile

C=CCC[C@@H](C(=O)OC[C@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H](CC=C)CC(=O)NCCOCCO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations