Geometry & MOs

Info

ID:	446981
PubChem CID:	135279289
Reduced:	ClFON5C20H23 (1)
Stoich.:	ABCD5E20F23 (1)
Weight, g/mol:	500.220575
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	4.79
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-[5-methyl-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2F)CC=O)NC3=CC(=NC(=N3)C)Cl)C=N

DOS

IR

Vibrations