Geometry & MOs

Info

ID:	231413
PubChem CID:	87573645
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	551.093818
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	4.56
IP(EA), eV:	-9.19(-0.92)
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-(4-fluorophenoxy)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC(=N2)Cl)OCC(=O)O

DOS

IR

Vibrations