Geometry & MOs

Info

ID:

296850

PubChem CID:

117596587

Reduced:

ClO8C35H35 (1)

Stoich.:

AB8C35D35 (1)

Weight, g/mol:

579.20055

ΔHf, kcal/mol:

-274.72

Dipole, Da:

6.49

IP(EA), eV:

 -8.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-[1-(4-methoxyphenyl)prop-2-enyl]cyclohexa-2,5-diene-1,4-dione;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations