Geometry & MOs

Info

ID:	430003
PubChem CID:	135170060
Reduced:	ClFN4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	206.134051
ΔH_f, kcal/mol:	39.38
Dipole, Da:	4.42
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-methylsulfanylpropan-2-yloxy)pentan-2-ol

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(N=C2NC3=CC(=CC=C3)F)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations