Geometry & MOs

Info

ID:	332788
PubChem CID:	127251212
Reduced:	ClSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	441.133397
ΔH_f, kcal/mol:	-18.32
Dipole, Da:	8.96
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentylsulfonyl-2-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations