Geometry & MOs

Info

ID:

307632

PubChem CID:

125307848

Reduced:

N3O6C27H35 (1)

Stoich.:

A3B6C27D35 (1)

Weight, g/mol:

497.252586

ΔHf, kcal/mol:

-180.04

Dipole, Da:

8.85

IP(EA), eV:

 -8.59(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-3-[(E)-[(2S)-1-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-2,4-dimethyl-2H-pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCN1[C@@H](/C(=C(/C2=C(C(=N[C@H]2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations