Geometry & MOs

Info

ID:

124156

PubChem CID:

50873647

Reduced:

S2N3O3H19C26 (1)

Stoich.:

A2B3C3D19E26 (1)

Weight, g/mol:

575.91191

ΔHf, kcal/mol:

78.21

Dipole, Da:

11.07

IP(EA), eV:

 -8.63(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)N(C(=S)S4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations