Geometry & MOs

Info

ID:

89941

PubChem CID:

49965496

Reduced:

N4O4C19H20 (1)

Stoich.:

A4B4C19D20 (1)

Weight, g/mol:

491.081888

ΔHf, kcal/mol:

-73.51

Dipole, Da:

7.84

IP(EA), eV:

 -8.23(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-10-[2-[(2-chlorophenyl)methoxy]phenyl]-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OCC

DOS

IR

Vibrations