Geometry & MOs

Info

ID:

87540

PubChem CID:

49895255

Reduced:

BrClNSO3H19C25 (1)

Stoich.:

ABCDE3F19G25 (1)

Weight, g/mol:

539.151492

ΔHf, kcal/mol:

-45.69

Dipole, Da:

4.93

IP(EA), eV:

 -9.26(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations