Geometry & MOs

Info

ID:

86855

PubChem CID:

49889733

Reduced:

ClFSN2O2H20C27 (1)

Stoich.:

ABCD2E2F20G27 (1)

Weight, g/mol:

543.12642

ΔHf, kcal/mol:

-43.94

Dipole, Da:

6.02

IP(EA), eV:

 -8.65(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations