Geometry & MOs

Info

ID:

87680

PubChem CID:

49896478

Reduced:

BrClNSO5H21C27 (1)

Stoich.:

ABCDE5F21G27 (1)

Weight, g/mol:

516.171893

ΔHf, kcal/mol:

-123.74

Dipole, Da:

3.32

IP(EA), eV:

 -9.31(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Br)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations