Geometry & MOs

Info

ID:	87260
PubChem CID:	49893489
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	517.130757
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	2.9
IP(EA), eV:	-9.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-(2-anilino-2-oxoethoxy)-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=C(C=C(C=C3C)C)C)/SC2=O

DOS

IR

Vibrations