Geometry & MOs

Info

ID:	25417
PubChem CID:	624480
Reduced:	NH4C7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	280.067034
ΔH_f, kcal/mol:	246.54
Dipole, Da:	6.7
IP(EA), eV:	-9.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,14-dimethyl-17-thia-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C3C4=CC=CC=C4C2C(C3(C#N)C#N)(C#N)C#N)C5=CC=CC=C5

DOS

IR

Vibrations