Geometry & MOs

Info

ID:	126825
PubChem CID:	50980184
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	9.3
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(1,8-naphthyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=N1)N(C)CC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations