Geometry & MOs

Info

ID:

15722

PubChem CID:

447934

Reduced:

N2O5C13H18 (2)

Stoich.:

A2B5C13D18 (2)

Weight, g/mol:

564.243143

ΔHf, kcal/mol:

-455.41

Dipole, Da:

6.26

IP(EA), eV:

 -8.97(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations