Geometry & MOs

Info

ID:

428023

PubChem CID:

135165780

Reduced:

N5H27C43 (1)

Stoich.:

A5B27C43 (1)

Weight, g/mol:

401.123821

ΔHf, kcal/mol:

248.72

Dipole, Da:

1.54

IP(EA), eV:

 -8.01(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-ethyl-10-thia-15-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

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=CC=CC=C5C=C4)C6=C3C=CC7=C6C8=CC=CC=C8N7C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations