Geometry & MOs

Info

ID:	89937
PubChem CID:	49965450
Reduced:	ClSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	321.129969
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	7.17
IP(EA), eV:	-8.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-prop-2-enylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

DOS

IR

Vibrations