Geometry & MOs

Info

ID:	161703
PubChem CID:	57392377
Reduced:	NOH14C15 (2)
Stoich.:	ABC14D15 (2)
Weight, g/mol:	489.20459
ΔH_f, kcal/mol:	21.12
Dipole, Da:	7.14
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[5-cyclopropyl-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC(=O)N2[C@@H]1C3=C(C[C@@H]2COCC4=CC=CC=C4)C5=CC=CC=C5N3CC6=CC=CC=C6

DOS

IR

Vibrations