Geometry & MOs

Info

ID:

340027

PubChem CID:

127262036

Reduced:

O4N5C25H35 (1)

Stoich.:

A4B5C25D35 (1)

Weight, g/mol:

450.211449

ΔHf, kcal/mol:

-149.96

Dipole, Da:

6.6

IP(EA), eV:

 -8.36(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C1=CC2=CC=CC=C2C(=C1)OC)C(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3

DOS

IR

Vibrations