Geometry & MOs

Info

ID:	158221
PubChem CID:	56463181
Reduced:	SO2F3N3C18H28 (1)
Stoich.:	AB2C3D3E18F28 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-246.15
Dipole, Da:	1.04
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations