Geometry & MOs

Info

ID:	348454
PubChem CID:	127273555
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.28
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-benzyl-5-(4-ethylsulfonylpiperazine-1-carbonyl)morpholin-3-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)NCC(=O)NC2CCOC3=CC=CC=C23

DOS

IR

Vibrations