Geometry & MOs

Info

ID:	163799
PubChem CID:	74380378
Reduced:	NSF3O6H16C19 (1)
Stoich.:	ABC3D6E16F19 (1)
Weight, g/mol:	536.18992
ΔH_f, kcal/mol:	-258.04
Dipole, Da:	8.19
IP(EA), eV:	-9.71(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-[[5-bromo-4-(8-ethylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]-2-(tert-butylamino)ethanol

Drug info:

PubChemData

Smile

CC(=C1CC(OC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations