Geometry & MOs

Info

ID:	154324
PubChem CID:	56313740
Reduced:	FSN3O5H22C23 (1)
Stoich.:	ABC3D5E22F23 (1)
Weight, g/mol:	432.184921
ΔH_f, kcal/mol:	-143.56
Dipole, Da:	2.56
IP(EA), eV:	-8.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)OC

DOS

IR

Vibrations