Geometry & MOs

Info

ID:	357356
PubChem CID:	127293989
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	377.144299
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	7.15
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propanoyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations