Geometry & MOs

Info

ID:	134772
PubChem CID:	51754073
Reduced:	N3O4C30H47 (1)
Stoich.:	A3B4C30D47 (1)
Weight, g/mol:	539.372307
ΔH_f, kcal/mol:	-209.17
Dipole, Da:	4.56
IP(EA), eV:	-9.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN([C@H](/C=C/CCC)C(=O)NC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations