Geometry & MOs

Info

ID:	189953
PubChem CID:	77931700
Reduced:	ClSF2O4N5H20C24 (1)
Stoich.:	ABC2D4E5F20G24 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	4.35
IP(EA), eV:	-9.27(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dihydro-1H-pyrrol-2-ylmethylimino)benzo[c][1,5]naphthyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=C(C=C(C=C2F)Cl)C3=CC(=C(N=C3)C(C)NC(=O)NNC(=O)C4=CC(=NO4)OC)F

DOS

IR

Vibrations