Geometry & MOs

Info

ID:

340149

PubChem CID:

127262158

Reduced:

NOC6H7 (5)

Stoich.:

ABC6D7 (5)

Weight, g/mol:

605.251934

ΔHf, kcal/mol:

-162.11

Dipole, Da:

5.42

IP(EA), eV:

 -9.18(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CNC(=O)CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations