Geometry & MOs

Info

ID:

149874

PubChem CID:

53789554

Reduced:

N6O8C25H34 (1)

Stoich.:

A6B8C25D34 (1)

Weight, g/mol:

547.251637

ΔHf, kcal/mol:

-292.97

Dipole, Da:

3.47

IP(EA), eV:

 -9.23(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-hydroxy-5-methoxy-5-oxopent-1-ene-1-diazonium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(CC(=O)OC)C(=O)C=[N+]=[N-])NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

DOS

IR

Vibrations