Geometry & MOs

Info

ID:	348439
PubChem CID:	127273540
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	10.42
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations