Geometry & MOs

Info

ID:

214520

PubChem CID:

85083148

Reduced:

N2O5C33H40 (1)

Stoich.:

A2B5C33D40 (1)

Weight, g/mol:

544.304956

ΔHf, kcal/mol:

-178.0

Dipole, Da:

6.4

IP(EA), eV:

 -9.4(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3-ethyl-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-2-[(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations