Geometry & MOs

Info

ID:	396123
PubChem CID:	135027488
Reduced:	BrSO2N7H12C15 (1)
Stoich.:	ABC2D7E12F15 (1)
Weight, g/mol:	451.077135
ΔH_f, kcal/mol:	86.22
Dipole, Da:	8.09
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[5-chloro-2-(trifluoromethyl)phenyl]-6-nitro-5,7,8,9-tetrahydroimidazo[1,2-a][1,8]naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C(=C(C(C3=C2N=C(C(=C3N)C#N)N)C4=CC(=CS4)Br)[N+](=O)[O-])N1

DOS

IR

Vibrations