Geometry & MOs

Info

ID:

313429

PubChem CID:

126614704

Reduced:

Cl4O4N7C42H53 (1)

Stoich.:

A4B4C7D42E53 (1)

Weight, g/mol:

428.173607

ΔHf, kcal/mol:

-101.35

Dipole, Da:

9.52

IP(EA), eV:

 -8.06(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-(2-hydroxybenzoyl)-4,5-dimethyl-1H-pyrrol-3-yl]-4,5-dimethylpyrrol-2-yl]-(2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCN/C=C(/C1=CC(=C(C=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=C(C=C(C=C4)/C(=C/NCCCCCCCC)/NN)O)Cl)Cl)O)\N

DOS

IR

Vibrations