Geometry & MOs

Info

ID:	244636
PubChem CID:	99368687
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	491.180954
ΔH_f, kcal/mol:	60.45
Dipole, Da:	4.19
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethyl]-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC(=NN1C2=CC=CC=C2)C(=O)NCC3=NN=CN3C4=CC=CC=C4

DOS

IR

Vibrations