Geometry & MOs

Info

ID:	197218
PubChem CID:	78938637
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	342.98419
ΔH_f, kcal/mol:	29.7
Dipole, Da:	2.41
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)SC2=CC3=C(CCC3)C=C2)N

DOS

IR

Vibrations