Geometry & MOs

Info

ID:	352280
PubChem CID:	127283364
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	365.123169
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	6.35
IP(EA), eV:	-8.96(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-3-ylmethylsulfanyl)-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1CCCN(C1)C(=O)C2CCOCC2

DOS

IR

Vibrations