Geometry & MOs

Info

ID:	46173
PubChem CID:	10522799
Reduced:	ON2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	364.128572
ΔH_f, kcal/mol:	94.7
Dipole, Da:	4.04
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12E,14E,17Z,19E)-16-thiatricyclo[19.4.1.16,11]heptacosa-1(25),6,8,10,12,14,17,19,21,23-decaen-2,4-diyne

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=CC=C2)CC3=NC=C(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations