Geometry & MOs

Info

ID:	205617
PubChem CID:	80127375
Reduced:	FNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	349.04998
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	1.84
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-bromo-4-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=C(C=C(C=C2)[C@@H](C)N)F)C

DOS

IR

Vibrations