Geometry & MOs

Info

ID:	86781
PubChem CID:	49889306
Reduced:	FNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	520.146821
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC=CC=C4

DOS

IR

Vibrations