Geometry & MOs

Info

ID:	398189
PubChem CID:	135032227
Reduced:	N5F6C19H21 (1)
Stoich.:	A5B6C19D21 (1)
Weight, g/mol:	434.127185
ΔH_f, kcal/mol:	-218.76
Dipole, Da:	4.04
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-chloro-3-[4-[2-[4-(2,3,3,3-tetrafluoropropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]([C@H]1N)C2=C(C=CC(=C2)F)F)C[C@@H](C(F)(F)F)F)N3CC4=C(C3)NN=C4

DOS

IR

Vibrations