Geometry & MOs

Info

ID:	154374
PubChem CID:	56313796
Reduced:	BrFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	362.110042
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	3.91
IP(EA), eV:	-9.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2F

DOS

IR

Vibrations