Geometry & MOs

Info

ID:	89930
PubChem CID:	49965412
Reduced:	SN2O3H6C8 (2)
Stoich.:	AB2C3D6E8 (2)
Weight, g/mol:	351.176919
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	3.79
IP(EA), eV:	-9.18(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-(3-methylbutylsulfanyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations