Geometry & MOs

Info

ID:

87385

PubChem CID:

49894387

Reduced:

ClSN3O5H22C27 (1)

Stoich.:

ABC3D5E22F27 (1)

Weight, g/mol:

502.156243

ΔHf, kcal/mol:

-129.58

Dipole, Da:

3.93

IP(EA), eV:

 -8.91(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations