Geometry & MOs

Info

ID:	204868
PubChem CID:	80023459
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	246.088993
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	5.08
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluorophenoxy)-3-methylpentane-1-thiol

Drug info:

PubChemData

Smile

CC(C)(C)C(COC1=CC2=C(C=C1)NC(=O)CC2)CS

DOS

IR

Vibrations