Geometry & MOs

Info

ID:

397260

PubChem CID:

135029966

Reduced:

ClN3O3H6C9 (1)

Stoich.:

AB3C3D6E9 (1)

Weight, g/mol:

1041.708029

ΔHf, kcal/mol:

-8.98

Dipole, Da:

5.42

IP(EA), eV:

-9.67(-1.39)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-O-[(2S,3S,4R)-1-[[(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-oxopent-3-en-2-yl]amino]-2,4,16-trimethyl-1-oxoheptadecan-3-yl] 4-O-methyl (2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triethylsilyloxybutanedioate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=O)N=C(N2)C[N+](=O)[O-]

DOS

IR

Vibrations