Geometry & MOs

Info

ID:	134551
PubChem CID:	51713905
Reduced:	SO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	401.12949
ΔH_f, kcal/mol:	15.31
Dipole, Da:	2.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975448
Charge, e:	0

Chem-info

IUPAC name:

5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-7-prop-2-enylquinolin-8-ol

Drug info:

PubChemData

Smile

CCCSC1=NC(=C(N=N1)C2=CC=CC=C2NC(=O)C)[O-]

DOS

IR

Vibrations