Geometry & MOs

Info

ID:

86961

PubChem CID:

49890255

Reduced:

BrClFNSO4H18C25 (1)

Stoich.:

ABCDEF4G18H25 (1)

Weight, g/mol:

603.9626

ΔHf, kcal/mol:

-114.06

Dipole, Da:

3.89

IP(EA), eV:

 -9.18(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations