Geometry & MOs

Info

ID:

377114

PubChem CID:

134223152

Reduced:

N2S2O15H52C54 (1)

Stoich.:

A2B2C15D52E54 (1)

Weight, g/mol:

704.146466

ΔHf, kcal/mol:

-495.75

Dipole, Da:

2.14

IP(EA), eV:

 -7.97(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-cyanophenyl)-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-1,3-benzothiazol-7-yl]ethyl 4-(prop-2-enoyloxymethoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCOC1CCC(CC1)OC(=O)C2CCC(CC2)C(=O)OC3=C4C(=C(C5=CC=CC=C53)OC(=O)C6CCC(CC6)C(=O)OC7=CC=C(C=C7)OCOC(=O)C=C)S/C(=C\8/C(=O)N9C=CC=CC9=N8)/S4

DOS

IR

Vibrations