Geometry & MOs

Info

ID:

169387

PubChem CID:

75098196

Reduced:

BrSN3O4H28C31 (1)

Stoich.:

ABC3D4E28F31 (1)

Weight, g/mol:

563.048492

ΔHf, kcal/mol:

-10.03

Dipole, Da:

4.17

IP(EA), eV:

 -8.45(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 -5

Chem-info

IUPAC name:

N-[3-(dihydroxyamino)-4-[4-[1-[4-(dioxidoamino)-2-nitrophenyl]pyridin-4-ylidene]pyridin-1-yl]phenyl]-N-oxidohydroxylamine;dichloride

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)Br)OCCCOC5=CC=C(C=C5)C

DOS

IR

Vibrations