Geometry & MOs

Info

ID:	62013
PubChem CID:	26716979
Reduced:	S2N4O4H20C23 (1)
Stoich.:	A2B4C4D20E23 (1)
Weight, g/mol:	352.157563
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	6.58
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-naphthalen-2-ylethyl]-3-quinolin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)NN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3)S(=O)(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations