Geometry & MOs

Info

ID:

87632

PubChem CID:

49896065

Reduced:

ClSN2O4H23C27 (1)

Stoich.:

ABC2D4E23F27 (1)

Weight, g/mol:

539.151492

ΔHf, kcal/mol:

-99.86

Dipole, Da:

4.54

IP(EA), eV:

 -8.98(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[2-methyl-3-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=CC(=C(C=C4)C)Cl)/SC2=O

DOS

IR

Vibrations