Geometry & MOs

Info

ID:

2671

PubChem CID:

8235

Reduced:

N4O6C33H36 (1)

Stoich.:

A4B6C33D36 (1)

Weight, g/mol:

584.263485

ΔHf, kcal/mol:

-156.19

Dipole, Da:

8.34

IP(EA), eV:

 -8.63(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-2,3-dihydrofuro[2,3-b]pyrrol-5-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C2CCOC2=NC1=CC3=C(C(=C(N3)CC4=C(C(=C(N4)C=C5C(=C(C(=O)N5)C)C=C)C)CCC(=O)O)CCC(=O)O)C

DOS

IR

Vibrations