Geometry & MOs

Info

ID:	187842
PubChem CID:	77633877
Reduced:	SF2N3O4C25H37 (1)
Stoich.:	AB2C3D4E25F37 (1)
Weight, g/mol:	435.249507
ΔH_f, kcal/mol:	-259.81
Dipole, Da:	5.61
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[2-[3-[2-(methylamino)pyridin-3-yl]-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methylpyrazolidin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(CCN2CCC(CC2)N(CC3CC3)C(=O)O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations