Geometry & MOs

Info

ID:

307213

PubChem CID:

125292409

Reduced:

N3O3H29C30 (1)

Stoich.:

A3B3C29D30 (1)

Weight, g/mol:

497.252586

ΔHf, kcal/mol:

-8.24

Dipole, Da:

3.68

IP(EA), eV:

 -8.77(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CCC6=CC=CC=C6

DOS

IR

Vibrations