Geometry & MOs

Info

ID:	77135
PubChem CID:	48425841
Reduced:	ClSN3O4C17H26 (1)
Stoich.:	ABC3D4E17F26 (1)
Weight, g/mol:	381.152241
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	6.65
IP(EA), eV:	-9.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC)CC)Cl

DOS

IR

Vibrations