Geometry & MOs

Info

ID:	134771
PubChem CID:	51754000
Reduced:	N2O3C34H42 (1)
Stoich.:	A2B3C34D42 (1)
Weight, g/mol:	513.356657
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)OC)C(=O)NCCCC)C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations