Geometry & MOs

Info

ID:

232935

PubChem CID:

87577744

Reduced:

PN7O10C48H64 (1)

Stoich.:

AB7C10D48E64 (1)

Weight, g/mol:

578.172973

ΔHf, kcal/mol:

-477.75

Dipole, Da:

3.31

IP(EA), eV:

 -9.18(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-ethylideneamino]-2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]amino]-5-nitro-3-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=N2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)N4CCN(C4=O)CC5=NC(=CC=C5)C(C)(C)OP(=O)(O)O)O)NC(=O)O

DOS

IR

Vibrations