Geometry & MOs

Info

ID:	378404
PubChem CID:	134224484
Reduced:	ClOSF3N5H17C19 (1)
Stoich.:	ABCD3E5F17G19 (1)
Weight, g/mol:	471.074358
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	2.76
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[(1S)-5,5-difluoro-2-(1H-pyrazol-5-yl)cyclohexyl]oxy-2-fluoro-N-pyrimidin-4-ylbenzenesulfinamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CC(C[C@@H]2OC3=CC(=C(C=C3Cl)SNC4=NC=NC=C4)F)(F)F

DOS

IR

Vibrations