Geometry & MOs

Info

ID:	357774
PubChem CID:	127294561
Reduced:	ClFO2N4C19H26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	321.118084
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	3.5
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)CNC(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations