Geometry & MOs

Info

ID:

89836

PubChem CID:

49964942

Reduced:

ClFSO2N5H13C18 (1)

Stoich.:

ABCD2E5F13G18 (1)

Weight, g/mol:

419.105211

ΔHf, kcal/mol:

-33.31

Dipole, Da:

11.02

IP(EA), eV:

 -8.9(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-10-(2-ethoxyphenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile

Drug info:

PubChemData

Smile

CCNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)F)C(=O)N2

DOS

IR

Vibrations