Geometry & MOs

Info

ID:	232355
PubChem CID:	87576057
Reduced:	ClSN3O8C17H20 (1)
Stoich.:	ABC3D8E17F20 (1)
Weight, g/mol:	323.118238
ΔH_f, kcal/mol:	-244.3
Dipole, Da:	7.95
IP(EA), eV:	-9.56(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-amino-3-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-5-fluoroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H](C(COS(=O)(=O)C)C(=O)C1=CC2=CC(=CC(=C2N1)[N+](=O)[O-])Cl)N

DOS

IR

Vibrations