Geometry & MOs

Info

ID:	154094
PubChem CID:	56313482
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	8.95
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations