Geometry & MOs

Info

ID:

171240

PubChem CID:

75348487

Reduced:

BrClNSO6H21C30 (1)

Stoich.:

ABCDE6F21G30 (1)

Weight, g/mol:

651.0118

ΔHf, kcal/mol:

-125.73

Dipole, Da:

2.36

IP(EA), eV:

 -8.58(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[[3-(2-naphthalen-1-yloxyethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC4=CC=CC=C43)Br)OC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations