Geometry & MOs

Info

ID:

148223

PubChem CID:

53787885

Reduced:

N2O7C36H44 (1)

Stoich.:

A2B7C36D44 (1)

Weight, g/mol:

433.197476

ΔHf, kcal/mol:

-248.17

Dipole, Da:

9.39

IP(EA), eV:

 -8.67(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-O-tert-butyl 1-O'-(2,5-dioxopyrrolidin-1-yl) (2R)-2-methyl-3-phenylmethoxypyrrolidin-1-ium-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2C[C@@H](C([C@@H]2C3=CC=C(C=C3)OCCCOC)C(=O)O)C4=CC5=C(C=C4)OCCO5)CC)C

DOS

IR

Vibrations