Geometry & MOs

Info

ID:

45014

PubChem CID:

10507196

Reduced:

ClNOH32C39 (1)

Stoich.:

ABCD32E39 (1)

Weight, g/mol:

566.262816

ΔHf, kcal/mol:

100.1

Dipole, Da:

3.12

IP(EA), eV:

 -8.21(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-benzyl 2-O-tert-butyl (2S,5S)-5-[(Z)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pent-3-enyl]pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)N([C@@]14C=C(C=C([C@@H]4C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl)C7=CC=CC=C7)C)C

DOS

IR

Vibrations