Geometry & MOs

Info

ID:	357833
PubChem CID:	127294676
Reduced:	S2N3O3C14H27 (1)
Stoich.:	A2B3C3D14E27 (1)
Weight, g/mol:	392.155198
ΔH_f, kcal/mol:	-158.39
Dipole, Da:	6.65
IP(EA), eV:	-8.53(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propanoylamino)-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NCCS(=O)(=O)N2CCSCC2)C

DOS

IR

Vibrations