Geometry & MOs

Info

ID:	230427
PubChem CID:	87570874
Reduced:	ClSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	454.133396
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	7.27
IP(EA), eV:	-9.61(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanoic acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)NC2=NC(=C(S2)C#N)C3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations