Geometry & MOs

Info

ID:

312865

PubChem CID:

126609301

Reduced:

N2S2F3O9H23C31 (1)

Stoich.:

A2B2C3D9E23F31 (1)

Weight, g/mol:

896.018261

ΔHf, kcal/mol:

-386.99

Dipole, Da:

2.3

IP(EA), eV:

 -9.14(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[2-chloro-4-[4,5-dichloro-1-[4,5-dichloro-2-[5-chloro-4-[1-(2-ethoxy-2-oxoethyl)triazol-4-yl]-2-methylbenzoyl]-1H-pyrrol-3-yl]pyrrole-2-carbonyl]-5-methoxyphenyl]triazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2C(=O)C3=C(C=C(C=C3)C)O)N4C=CC=C4C(=O)C5=C(C=C(C=C5)OS(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations