Geometry & MOs

Info

ID:	179795
PubChem CID:	76533332
Reduced:	FO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	5.56
IP(EA), eV:	-8.93(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC12CCC(CC1=CC(C3C2CCC4(C3CC(C4(C#C)O)F)C)O)O

DOS

IR

Vibrations