Geometry & MOs

Info

ID:	87327
PubChem CID:	49894053
Reduced:	NSO4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	526.076549
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	5.35
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations