Geometry & MOs

Info

ID:	204869
PubChem CID:	80023890
Reduced:	OSF2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	274.139137
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	0.7
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-(naphthalen-1-yloxymethyl)butane-1-thiol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)F)F)CCS

DOS

IR

Vibrations