Geometry & MOs

Info

ID:	87837
PubChem CID:	49897855
Reduced:	FNSO2H14C21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	508.145678
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	3.11
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[3-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=O

DOS

IR

Vibrations