Geometry & MOs

Info

ID:

438653

PubChem CID:

135228401

Reduced:

N5O8C33H51 (2)

Stoich.:

A5B8C33D51 (2)

Weight, g/mol:

365.064785

ΔHf, kcal/mol:

-765.51

Dipole, Da:

11.14

IP(EA), eV:

 -8.91(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(2,5-dioxopyrrol-1-yl)-5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)phenyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC=C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC(=O)O

DOS

IR

Vibrations