Geometry & MOs

Info

ID:	423855
PubChem CID:	135120507
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	5.53
IP(EA), eV:	-9.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-3-hydroxypiperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(C2=CC=CS2)O)CC(=O)NCC3=CC=CO3

DOS

IR

Vibrations