Geometry & MOs

Info

ID:	425100
PubChem CID:	135125171
Reduced:	SF2O4N6C23H24 (1)
Stoich.:	AB2C4D6E23F24 (1)
Weight, g/mol:	172.003955
ΔH_f, kcal/mol:	-118.6
Dipole, Da:	7.31
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)COC2=NC=C(N=C2)C(=CC3=CC(=C(C=C3)F)C4(CS(=O)(=O)C(C(=N4)N)(C)C)C)F

DOS

IR

Vibrations