Geometry & MOs

Info

ID:	154342
PubChem CID:	56313758
Reduced:	FSO2N3C26H26 (1)
Stoich.:	ABC2D3E26F26 (1)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	1.62
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations