Geometry & MOs

Info

ID:	427346
PubChem CID:	135157445
Reduced:	SO2C19H32 (1)
Stoich.:	AB2C19D32 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	6.01
IP(EA), eV:	-9.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-aminopyrimidin-4-yl)-3-(1-cyclopropylpiperidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C(=C1)CCCC)S(=O)(=O)C)CCCC

DOS

IR

Vibrations