Geometry & MOs

Info

ID:

214612

PubChem CID:

85083276

Reduced:

N4O8C27H50 (1)

Stoich.:

A4B8C27D50 (1)

Weight, g/mol:

558.320606

ΔHf, kcal/mol:

-393.05

Dipole, Da:

7.05

IP(EA), eV:

 -8.76(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)O)(C)O)C)CCCNC(=O)NCC#N)C)O)(C)O

DOS

IR

Vibrations