Geometry & MOs

Info

ID:

426623

PubChem CID:

135153024

Reduced:

SF3N3H12C17 (1)

Stoich.:

AB3C3D12E17 (1)

Weight, g/mol:

936.520822

ΔHf, kcal/mol:

-42.65

Dipole, Da:

2.88

IP(EA), eV:

 -9.36(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(2S)-1-[4-[[2-[[(1R,3S,4S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoyl]-2-azabicyclo[2.2.1]heptane-3-carbonyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(C(C2=C(C(=N1)C3=CN=C4C(=N3)C=CC=C4F)SC=C2)(F)F)C

DOS

IR

Vibrations