Geometry & MOs

Info

ID:

67494

PubChem CID:

46506580

Reduced:

ClSO3N4H17C24 (1)

Stoich.:

ABC3D4E17F24 (1)

Weight, g/mol:

513.18192

ΔHf, kcal/mol:

16.14

Dipole, Da:

10.72

IP(EA), eV:

 -9.39(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(4-ethoxyphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CN=CC=C4)S(=O)(=O)N2CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations