Geometry & MOs

Info

ID:	309667
PubChem CID:	126553338
Reduced:	S2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	382.191978
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	3.6
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[5-(3-methoxyphenyl)-2,5-dimethylhexan-2-yl]-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCO[C@H](C1=NC=C(C=N1)C)[C@@H](C)S(=O)(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations