Geometry & MOs

Info

ID:	197223
PubChem CID:	78938951
Reduced:	SN4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	324.99361
ΔH_f, kcal/mol:	98.75
Dipole, Da:	5.16
IP(EA), eV:	-8.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)SC2=NN=C3N2C=CC=C3)N

DOS

IR

Vibrations