Geometry & MOs

Info

ID:	88272
PubChem CID:	49902712
Reduced:	BrNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	479.95462
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	2.29
IP(EA), eV:	-9.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)Cl)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations