Geometry & MOs

Info

ID:

173502

PubChem CID:

75646006

Reduced:

SN3O4H16C20 (1)

Stoich.:

AB3C4D16E20 (1)

Weight, g/mol:

384.144712

ΔHf, kcal/mol:

-15.22

Dipole, Da:

15.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.221532

Charge, e:

 -1

Chem-info

IUPAC name:

7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-olate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NN=C3C4=CC=CC=C4N=C3[O-]

DOS

IR

Vibrations