Geometry & MOs

Info

ID:	402504
PubChem CID:	135056215
Reduced:	BrSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	283.033083
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	3.49
IP(EA), eV:	-9.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-1-(2-chlorophenyl)ethyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C)(C)SC(=O)C(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations