Geometry & MOs

Info

ID:

340088

PubChem CID:

127262097

Reduced:

N3O3C18H35 (1)

Stoich.:

A3B3C18D35 (1)

Weight, g/mol:

596.332233

ΔHf, kcal/mol:

-171.53

Dipole, Da:

4.93

IP(EA), eV:

 -9.57(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-ethylamino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)N([C@@H](CC(C)C)C(=O)N)C(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations