Geometry & MOs

Info

ID:	242559
PubChem CID:	97302078
Reduced:	NSF4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	309.117433
ΔH_f, kcal/mol:	-221.67
Dipole, Da:	8.46
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-fluorophenyl)methyl]-4-methyl-1-(trifluoromethylsulfanyl)pentan-2-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CSC(F)(F)F)NCC1=CC=C(C=C1)F

DOS

IR

Vibrations