Geometry & MOs

Info

ID:	404301
PubChem CID:	135065771
Reduced:	PSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	4.16
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(R)-(4-chlorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one

Drug info:

PubChemData

Smile

C[C@@]1([C@@](NC(=S)N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)(C)C(=O)OC)C4=CC=CO4

DOS

IR

Vibrations