Geometry & MOs

Info

ID:	88133
PubChem CID:	49901814
Reduced:	BrNSCl2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	506.950177
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	4.92
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[5-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations