Geometry & MOs

Info

ID:	343665
PubChem CID:	127266841
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	7.52
IP(EA), eV:	-9.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R,6S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NCCCCCCC(=O)C

DOS

IR

Vibrations