Geometry & MOs

Info

ID:	141650
PubChem CID:	52908700
Reduced:	S2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	12.4
Dipole, Da:	5.28
IP(EA), eV:	-9.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CS2)CC3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations