Geometry & MOs

Info

ID:	87065
PubChem CID:	49891476
Reduced:	FNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	490.136257
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	5.12
IP(EA), eV:	-8.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[3-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations