Geometry & MOs

Info

ID:	141569
PubChem CID:	52894687
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	388.260017
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	6.41
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations