Geometry & MOs

Info

ID:	87670
PubChem CID:	49896434
Reduced:	NSO2F3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	516.171893
ΔH_f, kcal/mol:	-187.44
Dipole, Da:	2.1
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)C(F)(F)F)/SC2=O

DOS

IR

Vibrations