Geometry & MOs

Info

ID:	269837
PubChem CID:	103619316
Reduced:	NOSF3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	309.101034
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	4.5
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1CNCCSC(F)(F)F

DOS

IR

Vibrations