Geometry & MOs

Info

ID:	44842
PubChem CID:	10506135
Reduced:	N7C32H37 (1)
Stoich.:	A7B32C37 (1)
Weight, g/mol:	519.334859
ΔH_f, kcal/mol:	142.62
Dipole, Da:	3.0
IP(EA), eV:	-8.4(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,3S)-2-but-3-enyl-5-oxo-3-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCNC1=C2C=NN(C2=NC(=N1)N3CCC(CC3)NCC4C5=CC=CC=C5CCC6=CC=CC=C46)CC=C

DOS

IR

Vibrations