Geometry & MOs

Info

ID:

12337

PubChem CID:

135208

Reduced:

O5N7C29H47 (1)

Stoich.:

A5B7C29D47 (1)

Weight, g/mol:

573.363868

ΔHf, kcal/mol:

-236.49

Dipole, Da:

4.0

IP(EA), eV:

 -8.72(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations