Geometry & MOs

Info

ID:	171128
PubChem CID:	75331208
Reduced:	BrISN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	513.91565
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	1.63
IP(EA), eV:	-8.9(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations