Geometry & MOs

Info

ID:

86951

PubChem CID:

49890154

Reduced:

SN2Cl3O4H21C27 (1)

Stoich.:

AB2C3D4E21F27 (1)

Weight, g/mol:

695.97495

ΔHf, kcal/mol:

-113.29

Dipole, Da:

2.35

IP(EA), eV:

 -8.77(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations