Geometry & MOs

Info

ID:	349285
PubChem CID:	127275072
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	7.73
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2-phenylmorpholin-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1COC(CN1CC2=NS(=O)(=O)C3=CC=CC=C3N2)C4=CC=CC=C4

DOS

IR

Vibrations