Geometry & MOs

Info

ID:

171232

PubChem CID:

75347171

Reduced:

ClFNSO5C31H31 (1)

Stoich.:

ABCDE5F31G31 (1)

Weight, g/mol:

576.156637

ΔHf, kcal/mol:

-192.92

Dipole, Da:

3.3

IP(EA), eV:

 -8.68(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-4-[[3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=C(C=CC(=C3)C)C(C)C)Cl)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations