Geometry & MOs

Info

ID:	87238
PubChem CID:	49893408
Reduced:	BrNSCl2O3H12C21 (1)
Stoich.:	ABCD2E3F12G21 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-39.93
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-1.79)
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] 3-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br

DOS

IR

Vibrations