Geometry & MOs

Info

ID:	348982
PubChem CID:	127274708
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	364.14905
ΔH_f, kcal/mol:	12.6
Dipole, Da:	6.98
IP(EA), eV:	-9.87(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylsulfonylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)N5C=NN=C5

DOS

IR

Vibrations