Geometry & MOs

Info

ID:

340120

PubChem CID:

127262129

Reduced:

SN6O6C29H40 (1)

Stoich.:

AB6C6D29E40 (1)

Weight, g/mol:

586.257354

ΔHf, kcal/mol:

-222.15

Dipole, Da:

10.4

IP(EA), eV:

 -8.89(0.03)

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]-methylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations