Geometry & MOs

Info

ID:	414108
PubChem CID:	135087062
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	263.032476
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	6.09
IP(EA), eV:	-9.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCC/C=C\CNS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations