Geometry & MOs

Info

ID:	170722
PubChem CID:	75271409
Reduced:	SN4O5H20C23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	385.099333
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(8-fluoro-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NOC(=N2)CN3C4C=CSC4C(=O)N(C3=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations