Geometry & MOs

Info

ID:

340151

PubChem CID:

127262160

Reduced:

N5O6C25H33 (1)

Stoich.:

A5B6C25D33 (1)

Weight, g/mol:

540.269633

ΔHf, kcal/mol:

-233.71

Dipole, Da:

3.88

IP(EA), eV:

 -9.11(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations