Geometry & MOs

Info

ID:

297659

PubChem CID:

117625080

Reduced:

NH22C30 (2)

Stoich.:

AB22C30 (2)

Weight, g/mol:

705.272001

ΔHf, kcal/mol:

206.48

Dipole, Da:

2.66

IP(EA), eV:

 -8.03(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

butyl-[[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenoxy]carbonyl-10-(3-sulfopropyl)acridin-10-ium-2-yl]methyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)C4=CC5=C6C(=C4)C=CC7=CC(=CC(=C76)C=C5)N8C9=CC=CC=C9C(=C8C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C

DOS

IR

Vibrations