Geometry & MOs

Info

ID:

87129

PubChem CID:

49892576

Reduced:

SCl2N2O6H22C27 (1)

Stoich.:

AB2C2D6E22F27 (1)

Weight, g/mol:

550.132921

ΔHf, kcal/mol:

-161.67

Dipole, Da:

8.11

IP(EA), eV:

 -8.71(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations