Geometry & MOs

Info

ID:	87104
PubChem CID:	49892105
Reduced:	BrFNSO4H15C19 (1)
Stoich.:	ABCDE4F15G19 (1)
Weight, g/mol:	561.00457
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	4.31
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)O

DOS

IR

Vibrations