Geometry & MOs

Info

ID:	375602
PubChem CID:	134214080
Reduced:	FSO4C5H6 (2)
Stoich.:	ABC4D5E6 (2)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-379.99
Dipole, Da:	3.29
IP(EA), eV:	-9.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[3-(methylideneamino)-4-[(Z)-prop-1-enyl]phenyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C2C1C3CC2C(C3OS(=O)O)OC(=O)C(F)(F)S(=O)(=O)O

DOS

IR

Vibrations