Geometry & MOs

Info

ID:

312866

PubChem CID:

126609305

Reduced:

Cl6O7N8H28C36 (1)

Stoich.:

A6B7C8D28E36 (1)

Weight, g/mol:

700.048862

ΔHf, kcal/mol:

-101.84

Dipole, Da:

10.16

IP(EA), eV:

 -8.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(N=N1)C2=CC(=C(C=C2Cl)C(=O)C3=CC(=C(N3C4=C(NC(=C4Cl)Cl)C(=O)C5=CC(=C(C=C5C)C6=CN(N=N6)CC(=O)OCC)Cl)Cl)Cl)OC

DOS

IR

Vibrations