Geometry & MOs

Info

ID:

377107

PubChem CID:

134223145

Reduced:

FNSO2H34C41 (1)

Stoich.:

ABCD2E34F41 (1)

Weight, g/mol:

1087.322234

ΔHf, kcal/mol:

128.12

Dipole, Da:

2.93

IP(EA), eV:

 -8.42(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-[1,3-benzothiazol-2-yl-(4-methylphenyl)sulfonylhydrazinylidene]methyl]-3-chloro-4-[6-[(1-methylcyclobutyl)methoxy]hexoxy]naphthalen-1-yl] 4-[2-chloro-4-(6-propylnaphthalen-2-yl)phenyl]benzoate

Drug info:

PubChemData

Smile

C#CC1=CC=C(C=C1)C2=C(C3=C(C=C2)C=C(C=C3)C#CC4=CC(=C(C=C4)C5=CC=C(C=C5)SCCCCCOCC6CO6)F)C=N

DOS

IR

Vibrations