Geometry & MOs

Info

ID:	171121
PubChem CID:	75329930
Reduced:	NSBr3O5H12C19 (1)
Stoich.:	ABC3D5E12F19 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	3.04
IP(EA), eV:	-9.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=C(C(=CC(=C3)Br)Br)OCC(=O)O)SC2=O)Br

DOS

IR

Vibrations