Geometry & MOs

Info

ID:

170305

PubChem CID:

75215393

Reduced:

BrSO4N8C21H21 (1)

Stoich.:

ABC4D8E21F21 (1)

Weight, g/mol:

560.05898

ΔHf, kcal/mol:

72.58

Dipole, Da:

7.07

IP(EA), eV:

 -9.01(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-2-[2-(1H-imidazol-5-yl)ethyl-methylamino]-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=NNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)CCN2C=CN=C2)C3=C4C=C(C=CN4N=C3)Br

DOS

IR

Vibrations