Geometry & MOs

Info

ID:	155464
PubChem CID:	56365722
Reduced:	ClNSF2O4C19H20 (1)
Stoich.:	ABCD2E4F19G20 (1)
Weight, g/mol:	440.18667
ΔH_f, kcal/mol:	-229.48
Dipole, Da:	2.46
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzoylpiperidin-4-yl)-3-(5-chloro-2-methoxyphenyl)-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations