Geometry & MOs

Info

ID:

87711

PubChem CID:

49896733

Reduced:

ClS2N3O9H24C25 (1)

Stoich.:

AB2C3D9E24F25 (1)

Weight, g/mol:

614.02778

ΔHf, kcal/mol:

-304.71

Dipole, Da:

8.86

IP(EA), eV:

 -8.81(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC

DOS

IR

Vibrations