Geometry & MOs

Info

ID:	230100
PubChem CID:	87570168
Reduced:	SN3O4F6H11C13 (1)
Stoich.:	AB3C4D6E11F13 (1)
Weight, g/mol:	454.212867
ΔH_f, kcal/mol:	-368.61
Dipole, Da:	8.11
IP(EA), eV:	-10.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-fluoro-N-[4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(F)(F)F)CS(=O)(=O)C2=CC=CC=[N+]2[O-])OCC(F)(F)F

DOS

IR

Vibrations