Geometry & MOs

Info

ID:

88206

PubChem CID:

49902284

Reduced:

BrSN2O4H23C26 (1)

Stoich.:

ABC2D4E23F26 (1)

Weight, g/mol:

594.08241

ΔHf, kcal/mol:

-98.18

Dipole, Da:

7.32

IP(EA), eV:

 -8.76(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)C

DOS

IR

Vibrations