Geometry & MOs

Info

ID:

186198

PubChem CID:

77402870

Reduced:

ClS2N4O6C31H33 (1)

Stoich.:

AB2C4D6E31F33 (1)

Weight, g/mol:

566.09406

ΔHf, kcal/mol:

-198.03

Dipole, Da:

5.37

IP(EA), eV:

 -8.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[5-amino-6-benzyl-4-[2-iodo-3-(4-methoxyphenyl)propanoyl]-1H-pyrazin-4-ium-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C2C(=O)NS(=O)(=O)C4=CC=CC(=C4)NS(=O)(=O)C)C5CCCNC5=O

DOS

IR

Vibrations