Geometry & MOs

Info

ID:	86619
PubChem CID:	49887675
Reduced:	BrClFNSO2H10C17 (1)
Stoich.:	ABCDEF2G10H17 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	0.79
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/SC2=O)Cl

DOS

IR

Vibrations