Geometry & MOs

Info

ID:	186989
PubChem CID:	77512891
Reduced:	SF2O3N6C21H22 (1)
Stoich.:	AB2C3D6E21F22 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	4.56
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-6-pyridin-4-yl-5-pyrimidin-2-yldiazinan-3-one

Drug info:

PubChemData

Smile

CC(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(C3=CC=CC=C3)N(C)C(=NC(=O)N)N)OC

DOS

IR

Vibrations