Geometry & MOs

Info

ID:	88182
PubChem CID:	49902215
Reduced:	ClN2S2O7H23C27 (1)
Stoich.:	AB2C2D7E23F27 (1)
Weight, g/mol:	555.01513
ΔH_f, kcal/mol:	-212.58
Dipole, Da:	11.77
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations