Geometry & MOs

Info

ID:	85757
PubChem CID:	49878805
Reduced:	BrON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	391.136591
ΔH_f, kcal/mol:	64.02
Dipole, Da:	2.45
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2Br)C3=NC4=C(C=CC=N4)N5C3=CC=C5

DOS

IR

Vibrations