Geometry & MOs

Info

ID:

314383

PubChem CID:

126621733

Reduced:

NOH14C25 (2)

Stoich.:

ABC14D25 (2)

Weight, g/mol:

423.108171

ΔHf, kcal/mol:

163.59

Dipole, Da:

3.52

IP(EA), eV:

 -8.04(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C5C=C7C=CC8=C(C7=C6)C9=CC=CC=C9O8)C1=C2C=C2C(=C1)C=CC1=C2C2=CC=CC=C2O1

DOS

IR

Vibrations