Geometry & MOs

Info

ID:	31349
PubChem CID:	855607
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	4.63
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)O

DOS

IR

Vibrations