Geometry & MOs

Info

ID:	153997
PubChem CID:	56313357
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	443.167891
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	9.0
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations