Geometry & MOs

Info

ID:	126538
PubChem CID:	50967567
Reduced:	SO2N6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	4.26
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-hydroxy-N-[(E)-3-phenylprop-2-enyl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)CNCC(=O)NC3=NN=C(S3)C4CCCO4

DOS

IR

Vibrations