Geometry & MOs

Info

ID:	17720
PubChem CID:	514905
Reduced:	NOSCl2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	367.056441
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	4.3
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butylsulfanyl-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCCCSC1=CC2=C(N=C1)OC(CC2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations