Geometry & MOs

Info

ID:	63324
PubChem CID:	26750613
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	27.19
Dipole, Da:	4.98
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(C)C)N=N1

DOS

IR

Vibrations