Geometry & MOs

Info

ID:	21188
PubChem CID:	587555
Reduced:	NS2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	373.095892
ΔH_f, kcal/mol:	89.35
Dipole, Da:	0.59
IP(EA), eV:	-8.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,11-dithia-26-azapentacyclo[11.6.6.15,9.014,19.020,25]hexacosa-1(19),5(26),6,8,13,15,17,20,22,24-decaene

Drug info:

PubChemData

Smile

C1C2=NC(=CC=C2)CSCC3=C4C=CC=CC4=C(CS1)C5=CC=CC=C35

DOS

IR

Vibrations