Geometry & MOs

Info

ID:	128577
PubChem CID:	51051232
Reduced:	SN3O4H11C19 (1)
Stoich.:	AB3C4D11E19 (1)
Weight, g/mol:	386.012806
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	6.56
IP(EA), eV:	-9.72(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=CC(=C(C=C3)C#N)C#N

DOS

IR

Vibrations