Geometry & MOs

Info

ID:	447302
PubChem CID:	135281851
Reduced:	FSO3N4C29H37 (1)
Stoich.:	ABC3D4E29F37 (1)
Weight, g/mol:	246.201737
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	8.25
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(2-methylhexan-2-ylsulfinyl)hexane

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@](CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)[C@H]3C[C@H](CN3)OC)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations