Geometry & MOs

Info

ID:	179124
PubChem CID:	76438516
Reduced:	O4N5C17H17 (1)
Stoich.:	A4B5C17D17 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	8.1
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzothiazole-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C(C=NC1=O)CC(=O)N(C)CC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations