Geometry & MOs

Info

ID:	404975
PubChem CID:	135071984
Reduced:	NSF3O4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-247.97
Dipole, Da:	5.52
IP(EA), eV:	-10.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(2-phenylethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C=C\C(=O)OC)/C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations