Geometry & MOs

Info

ID:	281415
PubChem CID:	103913839
Reduced:	NO2S2F3C8H16 (1)
Stoich.:	AB2C2D3E8F16 (1)
Weight, g/mol:	253.086053
ΔH_f, kcal/mol:	-265.22
Dipole, Da:	4.12
IP(EA), eV:	-9.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCCSC(F)(F)F

DOS

IR

Vibrations