Geometry & MOs

Info

ID:	242561
PubChem CID:	97302088
Reduced:	ClNSF3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	359.072233
ΔH_f, kcal/mol:	-130.41
Dipole, Da:	3.03
IP(EA), eV:	-9.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(3-chlorophenyl)methyl]-1-phenyl-3-(trifluoromethylsulfanyl)propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](CSC(F)(F)F)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations