Geometry & MOs

Info

ID:	154887
PubChem CID:	56314432
Reduced:	NSF2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	419.1389
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	4.14
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C2=C(C=CC=C2S1)F)COC)C3=CC=CC=C3F

DOS

IR

Vibrations