Geometry & MOs

Info

ID:

378548

PubChem CID:

134224637

Reduced:

N3H29C46 (1)

Stoich.:

A3B29C46 (1)

Weight, g/mol:

373.092521

ΔHf, kcal/mol:

211.09

Dipole, Da:

1.44

IP(EA), eV:

 -7.77(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-thia-18-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C5C=C7C(=C6)C8=CC9=CC=CC=C9C=C8N7C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations