Geometry & MOs

Info

ID:	231411
PubChem CID:	87573641
Reduced:	OC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	471.08759
ΔH_f, kcal/mol:	-231.85
Dipole, Da:	3.7
IP(EA), eV:	-9.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC[C@H](C/C=C\CCCCCCC(C(=O)C)C(=O)O)O

DOS

IR

Vibrations