Geometry & MOs

Info

ID:	46984
PubChem CID:	10528757
Reduced:	ClN4O6C22H29 (1)
Stoich.:	AB4C6D22E29 (1)
Weight, g/mol:	481.210052
ΔH_f, kcal/mol:	-171.86
Dipole, Da:	9.51
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 2-O-ethyl (2S,3S,4S)-3-(2-methoxy-2-oxoethyl)-4-[1-(4-methoxyphenyl)ethenyl]pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)CC[NH2+]C(=O)CC1=CC=C(C=C1)N(C)C(=O)OCC2=CC(=C(C=C2)[N+](=O)[O-])OC.[Cl-]

DOS

IR

Vibrations