Geometry & MOs

Info

ID:

215214

PubChem CID:

85084375

Reduced:

F6O8C39H50 (1)

Stoich.:

A6B8C39D50 (1)

Weight, g/mol:

760.41194

ΔHf, kcal/mol:

-639.73

Dipole, Da:

6.11

IP(EA), eV:

 -9.98(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[4-amino-4-oxo-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C=C)CCCCCCCCCCC(COC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)C

DOS

IR

Vibrations