Geometry & MOs

Info

ID:

313058

PubChem CID:

126611476

Reduced:

N5O6C26H37 (1)

Stoich.:

A5B6C26D37 (1)

Weight, g/mol:

566.277421

ΔHf, kcal/mol:

-250.43

Dipole, Da:

2.66

IP(EA), eV:

 -9.35(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(3R)-3-acetyloxy-3-(4-formyl-1,3-thiazol-2-yl)propyl]-[3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate

Drug info:

PubChemData

Smile

CC(C(C(=O)N1CCCC1C(=O)N2CCCC23CC(N(C3=O)C(=O)C(C(C)O)N)C4=CC=CC=C4)N)O

DOS

IR

Vibrations