Geometry & MOs

Info

ID:	159541
PubChem CID:	57288434
Reduced:	OC21H36 (1)
Stoich.:	AB21C36 (1)
Weight, g/mol:	569.277087
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	1.53
IP(EA), eV:	-8.56(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(6S)-4,6-diamino-5-oxo-7-phenylheptyl]-[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]octane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=CC=C1OCCCC(C)CC

DOS

IR

Vibrations