Geometry & MOs

Info

ID:

435853

PubChem CID:

135192572

Reduced:

FN2O4C25H25 (1)

Stoich.:

AB2C4D25E25 (1)

Weight, g/mol:

438.211449

ΔHf, kcal/mol:

-164.94

Dipole, Da:

7.22

IP(EA), eV:

 -9.01(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-1-hydroxy-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5CCC/C(=C\C)/C5=C(N=C4C3=C2)/C=C(\C)/F)O

DOS

IR

Vibrations