Geometry & MOs

Info

ID:

318675

PubChem CID:

126652682

Reduced:

SN3O10C52H55 (1)

Stoich.:

AB3C10D52E55 (1)

Weight, g/mol:

693.214486

ΔHf, kcal/mol:

-270.07

Dipole, Da:

3.18

IP(EA), eV:

 -8.68(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoxymethoxy)benzoyl]oxyphenyl]ethyl 4-(prop-2-enoxymethoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=C)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC(=O)C4CCC(CC4)C(=O)OC5=CC=CC=C5)/C=N/NC6=NC7=CC=CC=C7S6

DOS

IR

Vibrations