Geometry & MOs

Info

ID:	162816
PubChem CID:	57570993
Reduced:	N2S2O3C18H30 (1)
Stoich.:	A2B2C3D18E30 (1)
Weight, g/mol:	485.153304
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	8.04
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidin-1-yl]-(5-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)N(C)CCCC1=CC(=NC(=C1)CO)CO)SSC

DOS

IR

Vibrations