Geometry & MOs

Info

ID:

377109

PubChem CID:

134223147

Reduced:

NSO4H14C18 (2)

Stoich.:

ABC4D14E18 (2)

Weight, g/mol:

686.245058

ΔHf, kcal/mol:

-163.23

Dipole, Da:

6.5

IP(EA), eV:

 -8.6(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-(6-buta-1,3-dien-2-yloxyhexoxy)benzoyl]oxy-2-(4-cyanophenyl)-1,3-benzothiazol-4-yl] 4-propylbenzoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(S2)C3=NC4=C(C=CC(=C4S3)OC(=O)C5=CC=C(C=C5)OCCCOC(=O)C=C)OC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations