Geometry & MOs

Info

ID:	444666
PubChem CID:	135263171
Reduced:	ClSN3O4C29H32 (1)
Stoich.:	ABC3D4E29F32 (1)
Weight, g/mol:	484.22566
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.31
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-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=C1)C(C2=CC=C(O2)Cl)NC(=O)C3(CC3)C4=CC5=C(CN(C5)S(=O)(=O)C)C=C4)N6CCCC6

DOS

IR

Vibrations