Geometry & MOs

Info

ID:	140987
PubChem CID:	52795516
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	396.03073
ΔH_f, kcal/mol:	-128.89
Dipole, Da:	6.71
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)-3-fluorophenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)NCCOC)F

DOS

IR

Vibrations