Geometry & MOs

Info

ID:

87966

PubChem CID:

49899109

Reduced:

ClSN2O4H21C28 (1)

Stoich.:

ABC2D4E21F28 (1)

Weight, g/mol:

578.98098

ΔHf, kcal/mol:

-78.06

Dipole, Da:

7.45

IP(EA), eV:

 -8.72(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations