Geometry & MOs

Info

ID:	378389
PubChem CID:	134224468
Reduced:	N2O5F6H22C34 (1)
Stoich.:	A2B5C6D22E34 (1)
Weight, g/mol:	255.027789
ΔH_f, kcal/mol:	-411.24
Dipole, Da:	4.82
IP(EA), eV:	-9.64(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-(pyrimidin-4-ylamino)sulfanylphenol

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=C(C=C5)C6=CC=CC=C6C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations