Geometry & MOs

Info

ID:

340153

PubChem CID:

127262162

Reduced:

N5O5C35H53 (1)

Stoich.:

A5B5C35D53 (1)

Weight, g/mol:

665.255306

ΔHf, kcal/mol:

-240.82

Dipole, Da:

6.97

IP(EA), eV:

 -9.12(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]pentane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations