Geometry & MOs

Info

ID:

88077

PubChem CID:

49900598

Reduced:

SN2O2H20C25 (1)

Stoich.:

AB2C2D20E25 (1)

Weight, g/mol:

600.01213

ΔHf, kcal/mol:

7.22

Dipole, Da:

5.85

IP(EA), eV:

 -8.68(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-6-methoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations