Geometry & MOs

Info

ID:	378457
PubChem CID:	134224539
Reduced:	OSF2N3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	233.062283
ΔH_f, kcal/mol:	-93.35
Dipole, Da:	7.72
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(pyrimidin-4-ylamino)sulfanylphenol

Drug info:

PubChemData

Smile

CC1CCCCC[C@@H]1OC2=CC(=C(C(=C2)F)SNC3=NC=NC=C3)F

DOS

IR

Vibrations