Geometry & MOs

Info

ID:	171110
PubChem CID:	75329766
Reduced:	BrSN3O3H22C30 (1)
Stoich.:	ABC3D3E22F30 (1)
Weight, g/mol:	523.060484
ΔH_f, kcal/mol:	17.15
Dipole, Da:	3.23
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C)C=C4C(=O)N(C(=O)S4)CC5=CC=CC=C5Br

DOS

IR

Vibrations