Geometry & MOs

Info

ID:	435919
PubChem CID:	135192767
Reduced:	OF3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	5.87
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CN(C(=N2)C3CC3)C45CC(C4)(C5)N6CCOCC6)C(F)(F)F

DOS

IR

Vibrations