Geometry & MOs

Info

ID:	87239
PubChem CID:	49893410
Reduced:	BrNSCl2O4H14C24 (1)
Stoich.:	ABCD2E4F14G24 (1)
Weight, g/mol:	516.970912
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	6.24
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations