Geometry & MOs

Info

ID:

89962

PubChem CID:

49965612

Reduced:

N2O5H20C23 (1)

Stoich.:

A2B5C20D23 (1)

Weight, g/mol:

487.131425

ΔHf, kcal/mol:

-113.44

Dipole, Da:

9.3

IP(EA), eV:

 -9.44(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-10-(3-methoxy-4-phenylmethoxyphenyl)-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

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations