Geometry & MOs

Info

ID:	88423
PubChem CID:	49903393
Reduced:	BrSN2O6H19C25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	563.03145
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	6.75
IP(EA), eV:	-9.0(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations