Geometry & MOs

Info

ID:	369180
PubChem CID:	127331482
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-145.49
Dipole, Da:	3.29
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=C3C=CC=CN3C(=N2)S(=O)(=O)C

DOS

IR

Vibrations