Geometry & MOs

Info

ID:	137976
PubChem CID:	52293920
Reduced:	O2S2F3N3C12H12 (1)
Stoich.:	A2B2C3D3E12F12 (1)
Weight, g/mol:	441.196037
ΔH_f, kcal/mol:	-196.34
Dipole, Da:	6.09
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)C[C@](C2=NC(=CS2)C)(C(F)(F)F)O

DOS

IR

Vibrations