Geometry & MOs

Info

ID:

409981

PubChem CID:

135082768

Reduced:

NSO2H11C18 (1)

Stoich.:

ABC2D11E18 (1)

Weight, g/mol:

4030.092739

ΔHf, kcal/mol:

25.33

Dipole, Da:

2.56

IP(EA), eV:

-9.07(-2.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[4-(4-octoxyphenyl)phenoxy]carbonylphenyl] 2-[5-[3-[2-[[5-[2,3-bis[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxy]-2-[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxymethyl]propoxy]-5-oxopentanoyl]amino]-3-[3-[5-[5-(2-methylbutoxy)-2-[4-[4-(4-octoxyphenyl)phenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]-3-oxopropoxy]-2-[[3-[5-[5-(2-methylbutoxy)-2-[4-[4-(4-octoxyphenyl)phenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]-3-oxopropoxy]methyl]propoxy]propanoyloxy]pentoxy]-4-(2-methylbutoxy)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NSC3=C2C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations