Geometry & MOs

Info

ID:	378460
PubChem CID:	134224542
Reduced:	ClFOSN5C19H19 (1)
Stoich.:	ABCDE5F19G19 (1)
Weight, g/mol:	433.113937
ΔH_f, kcal/mol:	6.7
Dipole, Da:	4.04
IP(EA), eV:	-9.0(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-fluoro-4-[(1S)-2-(2-methylpyrazol-3-yl)cyclohexyl]oxyphenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCC[C@@H]2OC3=C(C(=C(C=C3)SNC4=NC=NC=C4)F)Cl

DOS

IR

Vibrations