Geometry & MOs

Info

ID:	153662
PubChem CID:	56312950
Reduced:	S2O3N5C18H19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	457.11077
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	9.34
IP(EA), eV:	-8.3(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NNC3=NC(=CC(=N3)C)C

DOS

IR

Vibrations