Geometry & MOs

Info

ID:

87397

PubChem CID:

49894483

Reduced:

ClNS2O6H22C26 (1)

Stoich.:

ABC2D6E22F26 (1)

Weight, g/mol:

530.187543

ΔHf, kcal/mol:

-170.93

Dipole, Da:

5.23

IP(EA), eV:

 -8.88(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations