Geometry & MOs

Info

ID:	171178
PubChem CID:	75339576
Reduced:	NSO7H17C20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	394.918877
ΔH_f, kcal/mol:	-219.64
Dipole, Da:	3.99
IP(EA), eV:	-9.04(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,4-dioxo-5-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)OC

DOS

IR

Vibrations