Geometry & MOs

Info

ID:	187474
PubChem CID:	77576378
Reduced:	SN2F3O3H25C26 (1)
Stoich.:	AB2C3D3E25F26 (1)
Weight, g/mol:	343.92134
ΔH_f, kcal/mol:	-219.92
Dipole, Da:	4.81
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-8-iodo-3a,5-dihydropyrrolo[2,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)N(C2=CC3=CC=CC=C3C=C2)C(CCCSCC(=O)C(F)(F)F)C(=O)N

DOS

IR

Vibrations