Geometry & MOs

Info

ID:

87976

PubChem CID:

49899248

Reduced:

NSCl2O4H23C27 (1)

Stoich.:

ABC2D4E23F27 (1)

Weight, g/mol:

665.96465

ΔHf, kcal/mol:

-100.25

Dipole, Da:

6.13

IP(EA), eV:

 -8.81(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC4=CC=CC(=C4)C

DOS

IR

Vibrations