Geometry & MOs

Info

ID:

448672

PubChem CID:

135292693

Reduced:

F2S2N3O3C17H19 (1)

Stoich.:

A2B2C3D3E17F19 (1)

Weight, g/mol:

985.523281

ΔHf, kcal/mol:

-159.33

Dipole, Da:

1.11

IP(EA), eV:

 -9.34(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-4-amino-1-[[1-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]pentanediamide

Drug info:

PubChemData

Smile

CCC(CF)NS(=O)(=O)C1=CC(=C(S1)C)C(=O)NC2=CC(=C(C=C2)F)C=N

DOS

IR

Vibrations