Geometry & MOs

Info

ID:	269752
PubChem CID:	103618929
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	220.988897
ΔH_f, kcal/mol:	-15.37
Dipole, Da:	7.29
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)NC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations