Geometry & MOs

Info

ID:

397203

PubChem CID:

135029884

Reduced:

PO4C56H69 (1)

Stoich.:

AB4C56D69 (1)

Weight, g/mol:

455.05936

ΔHf, kcal/mol:

-213.44

Dipole, Da:

3.73

IP(EA), eV:

 -8.71(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(Z)-N-methoxy-C-(2-propan-2-ylphenyl)carbonimidoyl]oxy-phenyl-lambda3-iodanyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=C(C=C(C=C7C(C)(C)C)C(C)(C)C)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations