Geometry & MOs

Info

ID:	134773
PubChem CID:	51754074
Reduced:	N3O4C32H49 (1)
Stoich.:	A3B4C32D49 (1)
Weight, g/mol:	539.372307
ΔH_f, kcal/mol:	-202.76
Dipole, Da:	2.09
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(E,2R)-1-(cyclohexylamino)-1-oxohept-3-en-2-yl]-hexylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](/C=C/CCC)C(=O)NC1CCCCC1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations