Geometry & MOs

Info

ID:	131724
PubChem CID:	51253515
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	4.01
IP(EA), eV:	-8.63(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxocinnolin-1-yl)-N-(2-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C2=CC=CC=C2N=C1CSC)N3CCOCC3

DOS

IR

Vibrations