Geometry & MOs

Info

ID:

222879

PubChem CID:

85332871

Reduced:

F2N4O6C29H38 (1)

Stoich.:

A2B4C6D29E38 (1)

Weight, g/mol:

577.212081

ΔHf, kcal/mol:

-320.69

Dipole, Da:

1.62

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[4-[[3-[[3,5-dimethyl-4-(1-methylpiperazin-1-ium-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]sulfonylmethyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)OCCN2CCOCC2)C(=O)NCCOC)NC(=O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations