Geometry & MOs

Info

ID:

379642

PubChem CID:

134453344

Reduced:

N2O7H46C48 (1)

Stoich.:

A2B7C46D48 (1)

Weight, g/mol:

695.266522

ΔHf, kcal/mol:

-138.58

Dipole, Da:

9.4

IP(EA), eV:

 -8.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-(6,7-dihydro-1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(C)C)/C=N/NC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC6=C(C=C5)C=C(C=C6)OCCCCCCOC(=O)C=C

DOS

IR

Vibrations