Geometry & MOs

Info

ID:	49350
PubChem CID:	11532897
Reduced:	SF2O2N6H20C22 (1)
Stoich.:	AB2C2D6E20F22 (1)
Weight, g/mol:	470.205301
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	3.45
IP(EA), eV:	-8.18(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[4-[4-[3-(methoxymethyl)phenyl]-3-oxobutyl]-2-oxo-1,3,4-oxadiazinan-3-yl]ethoxy]benzoate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC3=N/C(=C/4\C(=CSN4)NC(=O)NC5=C(C=CC=C5F)F)/N=C3C=C2

DOS

IR

Vibrations