Geometry & MOs

Info

ID:

171234

PubChem CID:

75347173

Reduced:

BrClNSO5C31H31 (1)

Stoich.:

ABCDE5F31G31 (1)

Weight, g/mol:

604.224323

ΔHf, kcal/mol:

-145.21

Dipole, Da:

1.97

IP(EA), eV:

 -8.72(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-[2-methoxy-4-[[3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

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)Br)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations