Geometry & MOs

Info

ID:	420010
PubChem CID:	135110742
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-113.64
Dipole, Da:	6.55
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations