Geometry & MOs

Info

ID:	277667
PubChem CID:	103830267
Reduced:	BrFSN2O2H12C14 (1)
Stoich.:	ABCD2E2F12G14 (1)
Weight, g/mol:	397.96829
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	1.42
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)F

DOS

IR

Vibrations