Geometry & MOs

Info

ID:	328219
PubChem CID:	126699269
Reduced:	BrFN3O4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	304.113316
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	6.08
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-5-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)Br)F)C(=O)N

DOS

IR

Vibrations