Geometry & MOs

Info

ID:	154542
PubChem CID:	56313999
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	7.65
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(methanesulfonamido)-4-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3

DOS

IR

Vibrations