Geometry & MOs

Info

ID:	64891
PubChem CID:	29204157
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	7.38
IP(EA), eV:	-9.67(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

DOS

IR

Vibrations