Geometry & MOs

Info

ID:	134621
PubChem CID:	51728432
Reduced:	FSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	3.08
IP(EA), eV:	-9.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)[C@H]2CS[C@H](C(=O)N2)CC3=CC=CC=C3F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations