Geometry & MOs

Info

ID:	369214
PubChem CID:	127331526
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	4.68
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations