Geometry & MOs

Info

ID:	419105
PubChem CID:	135107519
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-251.86
Dipole, Da:	5.8
IP(EA), eV:	-9.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)O

DOS

IR

Vibrations