Geometry & MOs

Info

ID:

87609

PubChem CID:

49895781

Reduced:

NSO5H25C28 (1)

Stoich.:

ABC5D25E28 (1)

Weight, g/mol:

644.02866

ΔHf, kcal/mol:

-131.38

Dipole, Da:

6.18

IP(EA), eV:

 -9.07(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations