Geometry & MOs

Info

ID:

215604

PubChem CID:

85084973

Reduced:

F3O6C29H40 (2)

Stoich.:

A3B6C29D40 (2)

Weight, g/mol:

1084.548785

ΔHf, kcal/mol:

-855.49

Dipole, Da:

7.65

IP(EA), eV:

 -9.68(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]-N-[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1CCC(O1)C2CCC(OCO2)C3CCC(O3)CCCCCCCC(CC4=CC(OC4=O)C)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC)OC(=O)C(C6=CC=CC=C6)(C(F)(F)F)OC

DOS

IR

Vibrations