Geometry & MOs

Info

ID:	230041
PubChem CID:	87569922
Reduced:	Cl2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	372.123383
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	4.21
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-fluoro-N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)C2=CC=CC(=C2)C=C(Cl)Cl

DOS

IR

Vibrations