Geometry & MOs

Info

ID:	49781
PubChem CID:	11533819
Reduced:	BrNO5C27H30 (1)
Stoich.:	ABC5D27E30 (1)
Weight, g/mol:	528.137143
ΔH_f, kcal/mol:	-162.4
Dipole, Da:	5.72
IP(EA), eV:	-8.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]-3-phenylpropoxy]benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C2=C3C4=CC(=C(C=C4CCN3C(=C2Br)C(=O)OC)OC(C)C)OC

DOS

IR

Vibrations