Geometry & MOs

Info

ID:

88036

PubChem CID:

49900075

Reduced:

ClFNSO4H21C29 (1)

Stoich.:

ABCDE4F21G29 (1)

Weight, g/mol:

630.08241

ΔHf, kcal/mol:

-104.55

Dipole, Da:

4.02

IP(EA), eV:

 -8.77(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=C(C=CC=C2Cl)F)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations