Geometry & MOs

Info

ID:

318673

PubChem CID:

126652679

Reduced:

NO5H16C21 (2)

Stoich.:

AB5C16D21 (2)

Weight, g/mol:

749.204316

ΔHf, kcal/mol:

-212.86

Dipole, Da:

3.0

IP(EA), eV:

 -8.91(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCOC(=O)C=C)/C=N/N=C4C5=CC=CC=C5C6=CC=CC=C64

DOS

IR

Vibrations