Geometry & MOs

Info

ID:	317111
PubChem CID:	126632530
Reduced:	NPH20C29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	337.092521
ΔH_f, kcal/mol:	114.24
Dipole, Da:	1.74
IP(EA), eV:	-7.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

24-methyl-9-thia-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC4=CC=CC=C4C=C31)C5=C(C=C2)C6=CC=CC=C6P5C7=CC=CC=C7

DOS

IR

Vibrations