Geometry & MOs

Info

ID:

340119

PubChem CID:

127262128

Reduced:

SN6O6C31H44 (1)

Stoich.:

AB6C6D31E44 (1)

Weight, g/mol:

600.273004

ΔHf, kcal/mol:

-248.03

Dipole, Da:

4.31

IP(EA), eV:

 -8.67(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]-ethylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations