Geometry & MOs

Info

ID:	244749
PubChem CID:	99381391
Reduced:	S2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	467.113747
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	9.02
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-6-[(2-fluorophenyl)methyl]-5-oxo-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]thiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=CC=C2NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations