Geometry & MOs

Info

ID:	369631
PubChem CID:	127334961
Reduced:	O2S2N3C16H23 (1)
Stoich.:	A2B2C3D16E23 (1)
Weight, g/mol:	342.197714
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	3.58
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C=C(S2)C(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations