Geometry & MOs

Info

ID:	88370
PubChem CID:	49903072
Reduced:	BrFNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	465.103479
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	2.77
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)/SC2=O)Br

DOS

IR

Vibrations