Geometry & MOs

Info

ID:	208446
PubChem CID:	80530997
Reduced:	BrClFNSH10C12 (1)
Stoich.:	ABCDEF10G12 (1)
Weight, g/mol:	332.93899
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	2.25
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC(=C(S2)Br)Cl)N)F

DOS

IR

Vibrations