Geometry & MOs

Info

ID:	197219
PubChem CID:	78938638
Reduced:	BrNSF2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	351.98811
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	1.21
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-bromo-4-(4-nitrophenyl)sulfanylphenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)SC2=CC(=C(C=C2)F)F)Br)N

DOS

IR

Vibrations