Geometry & MOs

Info

ID:	39831
PubChem CID:	8142534
Reduced:	ClSN2O4H11C18 (1)
Stoich.:	ABC2D4E11F18 (1)
Weight, g/mol:	386.012806
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	1.95
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@@H](OC2=O)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)O

DOS

IR

Vibrations