Geometry & MOs

Info

ID:

88364

PubChem CID:

49903062

Reduced:

BrNSO5H20C25 (1)

Stoich.:

ABCD5E20F25 (1)

Weight, g/mol:

556.062648

ΔHf, kcal/mol:

-127.12

Dipole, Da:

3.51

IP(EA), eV:

 -8.78(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-6-methoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations