Geometry & MOs

Info

ID:	181914
PubChem CID:	76813385
Reduced:	C2W2O3Y3H7 (1)
Stoich.:	A2B2C3D3E7 (1)
Weight, g/mol:	435.096286
ΔH_f, kcal/mol:	-288.2
Dipole, Da:	4.65
IP(EA), eV:	-3.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-oxo-4-phenylsulfanyl-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

C[C-]=O.O.O.[Y].[Y].[Y].[W].[W]

DOS

IR

Vibrations