Geometry & MOs

Info

ID:	291922
PubChem CID:	113803087
Reduced:	OSN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	270.101369
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	5.39
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[methyl(oxan-4-yl)amino]methyl]propanethioamide

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=C2C=CSC2=NC(=N1)NC

DOS

IR

Vibrations