Geometry & MOs

Info

ID:	317900
PubChem CID:	126647274
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	300.01111
ΔH_f, kcal/mol:	-116.62
Dipole, Da:	1.57
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-chloro-3-(2,2,2-trifluoroethylsulfanyl)phenyl]-2-fluoroethanimidamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC=O)O)O

DOS

IR

Vibrations