Geometry & MOs

Info

ID:

318677

PubChem CID:

126652684

Reduced:

SN5O14H33C44 (1)

Stoich.:

AB5C14D33E44 (1)

Weight, g/mol:

781.266916

ΔHf, kcal/mol:

-348.14

Dipole, Da:

6.15

IP(EA), eV:

 -8.49(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(3-methyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]ethyl 4-[(3-methyloxetan-3-yl)methoxymethoxy]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=C(C=CC(=C3)CCOC(=O)C4=CC=C(C=C4)OCOC(=O)CN5C(=O)C=CC5=O)OC(=O)C6=CC=C(C=C6)OCOC(=O)CN7C(=O)C=CC7=O

DOS

IR

Vibrations