Geometry & MOs

Info

ID:

233616

PubChem CID:

91146218

Reduced:

FS5O20H65C89 (1)

Stoich.:

AB5C20D65E89 (1)

Weight, g/mol:

501.356657

ΔHf, kcal/mol:

-352.05

Dipole, Da:

8.56

IP(EA), eV:

 -9.06(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-[[(2R)-3-ethyl-2-(methylamino)-3-phenylpentanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

Drug info:

PubChemData

Smile

CSOOO.CS(=O)(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)OC9=CC=C(C=C9)S(=O)(=O)C1=CC=C(C=C1)OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)OC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations