Geometry & MOs

Info

ID:	126369
PubChem CID:	50962276
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	3.66
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)NC2=CC=C1)NC(=O)C(C)(C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations