Geometry & MOs

Info

ID:

223820

PubChem CID:

85335620

Reduced:

N8O8C25H44 (1)

Stoich.:

A8B8C25D44 (1)

Weight, g/mol:

584.166431

ΔHf, kcal/mol:

-398.78

Dipole, Da:

4.14

IP(EA), eV:

 -9.5(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-benzyl-2-[3-cyano-4-(ethylamino)phenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]-3-methyl-1,3-benzothiazol-5-yl] N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)N

DOS

IR

Vibrations