Geometry & MOs

Info

ID:	164258
PubChem CID:	74382614
Reduced:	O4C15H16 (2)
Stoich.:	A4B15C16 (2)
Weight, g/mol:	515.113805
ΔH_f, kcal/mol:	-267.54
Dipole, Da:	4.4
IP(EA), eV:	-9.27(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC=CCC1=CC2=C(C(=O)C=C(C2=O)OC)C(=C1C(=O)CCCCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations