Geometry & MOs

Info

ID:	365818
PubChem CID:	127318564
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	2.12
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=CC(=NO3)C(C)C

DOS

IR

Vibrations