Geometry & MOs

Info

ID:

438227

PubChem CID:

135227921

Reduced:

FN5C29H34 (1)

Stoich.:

AB5C29D34 (1)

Weight, g/mol:

950.256805

ΔHf, kcal/mol:

65.37

Dipole, Da:

3.59

IP(EA), eV:

 -7.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-(4-nitrophenyl)-7-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(propanoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)/C(=C(/C1=CC2=C(C=C1)NC(N2C(C3=CC=CC=C3)C4=C(C=CC=N4)F)(C)C)\N(C)N=C)/C

DOS

IR

Vibrations