Geometry & MOs

Info

ID:

87605

PubChem CID:

49895736

Reduced:

N2S2O7H24C27 (1)

Stoich.:

A2B2C7D24E27 (1)

Weight, g/mol:

486.161329

ΔHf, kcal/mol:

-206.19

Dipole, Da:

11.26

IP(EA), eV:

 -8.69(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[3-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)/SC2=O

DOS

IR

Vibrations