Geometry & MOs

Info

ID:

171103

PubChem CID:

75329133

Reduced:

NSO4H19C28 (1)

Stoich.:

ABC4D19E28 (1)

Weight, g/mol:

556.062648

ΔHf, kcal/mol:

-47.93

Dipole, Da:

5.38

IP(EA), eV:

 -8.84(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations