Geometry & MOs

Info

ID:

376896

PubChem CID:

134222928

Reduced:

NO3C24H35 (1)

Stoich.:

AB3C24D35 (1)

Weight, g/mol:

1065.06835

ΔHf, kcal/mol:

-123.96

Dipole, Da:

2.21

IP(EA), eV:

 -9.47(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-acetamido-3-[4-[[4-(2,2-dichloroacetyl)phenyl]methoxy]-4-oxobutanoyl]oxy-2-[[4-[[4-(2,2-dichloroacetyl)phenyl]methoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[[4-(2,2-dichloroacetyl)phenyl]methyl] butanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)/C(=C/C1=CC=C(C=C1)O)/C#N

DOS

IR

Vibrations