Geometry & MOs

Info

ID:	324177
PubChem CID:	126677075
Reduced:	NF3O3C19H32 (1)
Stoich.:	AB3C3D19E32 (1)
Weight, g/mol:	286.139137
ΔH_f, kcal/mol:	-354.74
Dipole, Da:	5.2
IP(EA), eV:	-9.55(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene

Drug info:

PubChemData

Smile

CCC1CC(C(N(C1)C(=O)CC(F)(F)F)[C@H](C)OC(=O)C(C)(C)C)CC

DOS

IR

Vibrations