Geometry & MOs

Info

ID:	161740
PubChem CID:	57392503
Reduced:	O2N5C22H37 (1)
Stoich.:	A2B5C22D37 (1)
Weight, g/mol:	499.170096
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	1.72
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CCCN(C1)CCC2=CC=CC=N2)C(C)(C)C)NC

DOS

IR

Vibrations