Geometry & MOs

Info

ID:	205133
PubChem CID:	80059496
Reduced:	NSF3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	351.00926
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	3.39
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-bromo-2-(3-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC1=CC(=C(C(=C1)F)SC2=CC=CC(=C2)F)F

DOS

IR

Vibrations