Geometry & MOs

Info

ID:

171131

PubChem CID:

75332071

Reduced:

BrClFNSO4H14C24 (1)

Stoich.:

ABCDEF4G14H24 (1)

Weight, g/mol:

578.987705

ΔHf, kcal/mol:

-118.46

Dipole, Da:

5.04

IP(EA), eV:

 -9.36(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations