Geometry & MOs

Info

ID:	191726
PubChem CID:	78182172
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	374.054755
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	3.64
IP(EA), eV:	-9.15(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-prop-2-ynylsulfanylquinolin-4-yl)sulfanyl-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2CC3C(=O)OCC(N3O2)C4=CC=CC=C4

DOS

IR

Vibrations