Geometry & MOs

Info

ID:

428021

PubChem CID:

135165772

Reduced:

ClON8H27C30 (1)

Stoich.:

ABC8D27E30 (1)

Weight, g/mol:

401.123821

ΔHf, kcal/mol:

178.06

Dipole, Da:

6.0

IP(EA), eV:

 -8.43(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethyl-15-thia-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C#N)C(=C2)C4=CN=C(C=C4)N5CC6CC(C5)N6CC7=CC(=C(C=C7)OC)Cl

DOS

IR

Vibrations