Geometry & MOs

Info

ID:	185207
PubChem CID:	77270132
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	6.11
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxyoxan-4-yl)-4-[(2-methylsulfanylpyridin-3-yl)methyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C=CNC3=O

DOS

IR

Vibrations