Geometry & MOs

Info

ID:	447002
PubChem CID:	135279432
Reduced:	IOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	484.22566
ΔH_f, kcal/mol:	25.76
Dipole, Da:	3.94
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1COCCN([C@@]1(C=C)S)C2=CC(=NC(=N2)C)I

DOS

IR

Vibrations