Geometry & MOs

Info

ID:	232468
PubChem CID:	87576246
Reduced:	SF3O6C19H25 (1)
Stoich.:	AB3C6D19E25 (1)
Weight, g/mol:	373.085003
ΔH_f, kcal/mol:	-407.57
Dipole, Da:	4.24
IP(EA), eV:	-9.64(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[dideuterio-(4-nitrophenyl)methyl]-2-fluoro-4-methoxybenzene

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@@H]([C@@H]1CC=C2OS(=O)(=O)C(F)(F)F)CCC(=O)[C@]3(C)CCC(=O)O

DOS

IR

Vibrations