Geometry & MOs

Info

ID:

12252

PubChem CID:

133513

Reduced:

SN5O10C28H37 (1)

Stoich.:

AB5C10D28E37 (1)

Weight, g/mol:

635.226114

ΔHf, kcal/mol:

-405.34

Dipole, Da:

9.79

IP(EA), eV:

 -9.71(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations