Geometry & MOs

Info

ID:

86822

PubChem CID:

49889540

Reduced:

NSCl3O5H18C26 (1)

Stoich.:

ABC3D5E18F26 (1)

Weight, g/mol:

545.997461

ΔHf, kcal/mol:

-139.71

Dipole, Da:

6.91

IP(EA), eV:

 -9.28(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations