Geometry & MOs

Info

ID:

318749

PubChem CID:

126653028

Reduced:

PO9C90H123 (1)

Stoich.:

AB9C90D123 (1)

Weight, g/mol:

441.020449

ΔHf, kcal/mol:

-462.6

Dipole, Da:

7.99

IP(EA), eV:

 -8.83(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[3-chloro-1-(4-chloro-3,5-dimethylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)OC(=O)C2C3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)OP(OC4=C(C=C(C=C4)C(C)(C)CC(C)(C)C)C5C6=C(C=CC(=C6)C(C)(C)CC(C)(C)C)OC5=O)OC7=C(C=C(C=C7)C(C)(C)CC(C)(C)C)C8C9=C(C=CC(=C9)C(C)(C)CC(C)(C)C)OC8=O

DOS

IR

Vibrations