Geometry & MOs

Info

ID:	263447
PubChem CID:	103368097
Reduced:	OSN2F3H7C8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	285.112268
ΔH_f, kcal/mol:	-165.85
Dipole, Da:	3.8
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-methylamino]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(C#N)C(F)(F)F

DOS

IR

Vibrations