Geometry & MOs

Info

ID:

312867

PubChem CID:

126609306

Reduced:

Cl2O2N4H11C15 (2)

Stoich.:

A2B2C4D11E15 (2)

Weight, g/mol:

645.917439

ΔHf, kcal/mol:

33.06

Dipole, Da:

10.68

IP(EA), eV:

 -8.91(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxy-4-methylsulfanylbenzoyl)-1H-pyrrol-3-yl]pyrrole-2-carbonyl]-3-hydroxyphenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(N3C4=C(NC(=C4Cl)Cl)C(=O)C5=C(C=C(C=C5)C6=CN(N=N6)CC)O)Cl)Cl)O

DOS

IR

Vibrations