Geometry & MOs

Info

ID:

377121

PubChem CID:

134223159

Reduced:

NO8C27H27 (2)

Stoich.:

AB8C27D27 (2)

Weight, g/mol:

1089.392904

ΔHf, kcal/mol:

-400.48

Dipole, Da:

6.17

IP(EA), eV:

 -8.99(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)COCOC2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)OC(=O)C4=CC(=C(C=C4)OCOC(=O)C=C)OCOC(=O)C=C)/C=N/N=C5C6C=CC=CC6C7C5C=CC=C7)OCOCC8(COC8)C

DOS

IR

Vibrations