Geometry & MOs

Info

ID:	31695
PubChem CID:	856513
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	5.16
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)CNCC2=CC=CO2

DOS

IR

Vibrations