Geometry & MOs

Info

ID:	156894
PubChem CID:	56394842
Reduced:	ClSN2F3O4H14C16 (1)
Stoich.:	ABC2D3E4F14G16 (1)
Weight, g/mol:	432.23727
ΔH_f, kcal/mol:	-275.23
Dipole, Da:	3.08
IP(EA), eV:	-8.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-4-nitrobenzoyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)OC)NS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations