Geometry & MOs

Info

ID:	250475
PubChem CID:	103096916
Reduced:	ClOSN3C13H24 (1)
Stoich.:	ABCD3E13F24 (1)
Weight, g/mol:	213.099892
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	3.14
IP(EA), eV:	-8.39(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1)CNCC(C)(CSC)O)Cl

DOS

IR

Vibrations