Geometry & MOs

Info

ID:	274416
PubChem CID:	103809158
Reduced:	OSN2F3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	258.101369
ΔH_f, kcal/mol:	-195.13
Dipole, Da:	2.55
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCC(=O)NCCSC(F)(F)F)N

DOS

IR

Vibrations