Geometry & MOs

Info

ID:	368657
PubChem CID:	127329730
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	381.147075
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	4.1
IP(EA), eV:	-8.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNS(=O)(=O)CC2=NOC(=C2)C

DOS

IR

Vibrations