Geometry & MOs

Info

ID:	49259
PubChem CID:	11532374
Reduced:	ClF3N4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	444.093536
ΔH_f, kcal/mol:	-77.09
Dipole, Da:	5.73
IP(EA), eV:	-8.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-fluorophenyl)-[(1R,4S)-5-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=CC2=C1N=C(N2)C3=CC=C(C=C3)C4=C(C=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations