Geometry & MOs

Info

ID:	242558
PubChem CID:	97302058
Reduced:	NSF3C5H10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	309.117433
ΔH_f, kcal/mol:	-173.64
Dipole, Da:	2.55
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CSC(F)(F)F)NC

DOS

IR

Vibrations